Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
615955 | 5lah RC | 34008 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H CYS 1 H CYS 1 1.807 0.001 0.856
2 HA CYS 1 HA CYS 1 1.413 0.211 -2.051
3 HB2 CYS 1 HB2 CYS 1 3.946 0.839 -1.913
4 HB3 CYS 1 HB3 CYS 1 2.728 2.032 -1.470
5 H TYR 2 H TYR 2 2.920 -0.963 -3.433
6 HA TYR 2 HA TYR 2 3.287 -3.669 -2.471
7 HB2 TYR 2 HB2 TYR 2 2.779 -2.465 -4.981
8 HB3 TYR 2 HB3 TYR 2 4.336 -3.275 -5.114
9 HD1 TYR 2 HD1 TYR 2 1.388 -4.288 -3.086
10 HD2 TYR 2 HD2 TYR 2 3.854 -5.137 -6.448
11 HE1 TYR 2 HE1 TYR 2 0.236 -6.441 -3.379
12 HE2 TYR 2 HE2 TYR 2 2.708 -7.292 -6.751
13 HH TYR 2 HH TYR 2 0.074 -8.294 -4.585
14 HA PRO 3 HA PRO 3 7.593 -3.513 -1.638
15 HB2 PRO 3 HB2 PRO 3 8.381 -5.987 -2.432
16 HB3 PRO 3 HB3 PRO 3 7.424 -5.706 -0.972
17 HG2 PRO 3 HG2 PRO 3 6.524 -6.596 -3.685
18 HG3 PRO 3 HG3 PRO 3 6.030 -7.195 -2.090
19 HD2 PRO 3 HD2 PRO 3 4.523 -5.464 -3.527
20 HD3 PRO 3 HD3 PRO 3 4.560 -5.452 -1.752
21 H GLY 4 H GLY 4 7.980 -1.875 -3.313
22 HA2 GLY 4 HA2 GLY 4 10.033 -1.739 -4.770
23 HA3 GLY 4 HA3 GLY 4 9.271 -3.009 -5.716
24 H GLN 5 H GLN 5 7.071 -0.760 -4.442
25 HA GLN 5 HA GLN 5 6.390 0.179 -7.060
26 HB2 GLN 5 HB2 GLN 5 5.357 0.958 -4.329
27 HB3 GLN 5 HB3 GLN 5 4.675 1.525 -5.848
28 HG2 GLN 5 HG2 GLN 5 4.582 -1.110 -6.289
29 HG3 GLN 5 HG3 GLN 5 4.455 -1.104 -4.531
30 HE21 GLN 5 HE21 GLN 5 2.786 -0.844 -7.407
31 HE22 GLN 5 HE22 GLN 5 1.294 -0.225 -6.794
32 HA PRO 6 HA PRO 6 8.681 3.913 -7.287
33 HB2 PRO 6 HB2 PRO 6 6.936 5.547 -8.573
34 HB3 PRO 6 HB3 PRO 6 7.772 4.213 -9.376
35 HG2 PRO 6 HG2 PRO 6 4.984 4.322 -8.290
36 HG3 PRO 6 HG3 PRO 6 5.564 3.632 -9.817
37 HD2 PRO 6 HD2 PRO 6 5.018 2.110 -7.646
38 HD3 PRO 6 HD3 PRO 6 6.291 1.691 -8.810
39 H GLY 7 H GLY 7 8.800 4.424 -5.047
40 HA2 GLY 7 HA2 GLY 7 8.469 6.705 -3.977
41 HA3 GLY 7 HA3 GLY 7 6.756 6.335 -4.106
42 H CYS 8 H CYS 8 7.259 3.473 -3.478
43 HA CYS 8 HA CYS 8 7.367 3.799 -0.574
44 HB2 CYS 8 HB2 CYS 8 5.469 2.587 -1.823
45 HB3 CYS 8 HB3 CYS 8 6.622 1.274 -2.035
46 H GLY 9 H GLY 9 8.360 1.906 0.648
47 HA2 GLY 9 HA2 GLY 9 10.357 0.289 -0.477
48 HA3 GLY 9 HA3 GLY 9 11.110 1.781 0.067
49 H HIS 10 H HIS 10 12.156 -0.187 1.305
50 HA HIS 10 HA HIS 10 10.738 -1.236 3.530
51 HB2 HIS 10 HB2 HIS 10 13.020 -1.952 2.327
52 HB3 HIS 10 HB3 HIS 10 13.701 -1.009 3.650
53 HD1 HIS 10 HD1 HIS 10 14.552 -3.698 3.987
54 HD2 HIS 10 HD2 HIS 10 10.706 -2.621 5.132
55 HE1 HIS 10 HE1 HIS 10 13.815 -5.466 5.616
56 H CYS 11 H CYS 11 10.154 -0.216 5.318
57 HA CYS 11 HA CYS 11 10.909 2.435 5.913
58 HB2 CYS 11 HB2 CYS 11 9.619 2.181 7.935
59 HB3 CYS 11 HB3 CYS 11 8.773 1.360 6.628
60 H SER 12 H SER 12 11.813 3.075 8.099
61 HA SER 12 HA SER 12 13.744 1.263 9.256
62 HB2 SER 12 HB2 SER 12 15.680 2.750 8.831
63 HB3 SER 12 HB3 SER 12 15.010 2.091 7.339
64 HG SER 12 HG SER 12 15.130 4.171 6.850
65 H ARG 13 H ARG 13 14.596 2.002 11.242
66 HA ARG 13 HA ARG 13 12.951 3.285 12.961
67 HB2 ARG 13 HB2 ARG 13 15.931 3.017 12.900
68 HB3 ARG 13 HB3 ARG 13 15.182 3.990 14.158
69 HG2 ARG 13 HG2 ARG 13 13.751 1.571 14.058
70 HG3 ARG 13 HG3 ARG 13 15.465 1.156 13.999
71 HD2 ARG 13 HD2 ARG 13 15.859 1.917 16.095
72 HD3 ARG 13 HD3 ARG 13 14.688 3.228 15.953
73 HE ARG 13 HE ARG 13 13.065 1.839 16.806
74 HH11 ARG 13 HH11 ARG 13 15.902 -0.015 16.011
75 HH12 ARG 13 HH12 ARG 13 15.344 -1.452 16.800
76 HH21 ARG 13 HH21 ARG 13 12.318 -0.047 17.848
77 HH22 ARG 13 HH22 ARG 13 13.304 -1.470 17.844
78 HA PRO 14 HA PRO 14 12.962 4.620 14.797
79 HB2 PRO 14 HB2 PRO 14 10.890 6.302 15.294
80 HB3 PRO 14 HB3 PRO 14 12.560 6.683 15.727
81 HG2 PRO 14 HG2 PRO 14 10.965 7.584 13.360
82 HG3 PRO 14 HG3 PRO 14 12.058 8.521 14.395
83 HD2 PRO 14 HD2 PRO 14 12.800 7.581 11.967
84 HD3 PRO 14 HD3 PRO 14 13.943 7.753 13.315
85 H ASN 15 H ASN 15 11.943 4.411 11.788
86 HA ASN 15 HA ASN 15 9.185 3.647 12.203
87 HB2 ASN 15 HB2 ASN 15 10.755 3.070 9.706
88 HB3 ASN 15 HB3 ASN 15 9.036 3.411 9.877
89 HD21 ASN 15 HD21 ASN 15 10.986 4.652 8.130
90 HD22 ASN 15 HD22 ASN 15 10.983 6.336 8.515
91 H TYR 16 H TYR 16 8.347 1.575 12.101
92 HA TYR 16 HA TYR 16 10.212 -0.666 11.908
93 HB2 TYR 16 HB2 TYR 16 9.499 -1.669 13.967
94 HB3 TYR 16 HB3 TYR 16 9.994 -0.018 14.325
95 HD1 TYR 16 HD1 TYR 16 8.177 1.749 14.569
96 HD2 TYR 16 HD2 TYR 16 7.350 -2.424 14.529
97 HE1 TYR 16 HE1 TYR 16 5.999 2.177 15.629
98 HE2 TYR 16 HE2 TYR 16 5.169 -2.008 15.588
99 HH TYR 16 HH TYR 16 4.168 -0.165 17.075
100 H CYS 17 H CYS 17 8.735 -2.781 12.336
101 HA CYS 17 HA CYS 17 6.729 -2.651 10.241
102 HB2 CYS 17 HB2 CYS 17 8.298 -4.780 11.571
103 HB3 CYS 17 HB3 CYS 17 6.687 -5.237 11.028
104 H GLU 18 H GLU 18 4.569 -2.893 10.497
105 HA GLU 18 HA GLU 18 3.496 -3.668 13.094
106 HB2 GLU 18 HB2 GLU 18 3.827 -1.120 12.961
107 HB3 GLU 18 HB3 GLU 18 2.508 -1.139 11.799
108 HG2 GLU 18 HG2 GLU 18 2.097 -0.731 14.369
109 HG3 GLU 18 HG3 GLU 18 0.940 -1.606 13.368
110 H GLY 19 H GLY 19 2.431 -5.427 12.348
111 HA2 GLY 19 HA2 GLY 19 0.893 -5.297 9.890
112 HA3 GLY 19 HA3 GLY 19 1.103 -6.707 10.919
113 H ALA 20 H ALA 20 0.283 -4.238 12.923
114 HA ALA 20 HA ALA 20 -2.605 -4.739 12.629
115 HB1 ALA 20 HB1 ALA 20 -0.892 -5.430 14.829
116 HB2 ALA 20 HB2 ALA 20 -2.131 -4.287 15.350
117 HB3 ALA 20 HB3 ALA 20 -2.598 -5.802 14.578
118 H ARG 21 H ARG 21 -0.838 -2.799 15.002
119 HA ARG 21 HA ARG 21 -1.541 -0.317 13.701
120 HB2 ARG 21 HB2 ARG 21 -3.307 -1.446 15.617
121 HB3 ARG 21 HB3 ARG 21 -2.528 -0.062 16.371
122 HG2 ARG 21 HG2 ARG 21 -3.739 1.375 15.189
123 HG3 ARG 21 HG3 ARG 21 -3.391 0.535 13.676
124 HD2 ARG 21 HD2 ARG 21 -5.790 0.569 14.155
125 HD3 ARG 21 HD3 ARG 21 -5.154 -1.075 14.147
126 HE ARG 21 HE ARG 21 -5.811 -1.265 16.318
127 HH11 ARG 21 HH11 ARG 21 -5.456 2.116 15.568
128 HH12 ARG 21 HH12 ARG 21 -6.040 2.653 17.108
129 HH21 ARG 21 HH21 ARG 21 -6.582 -0.571 18.349
130 HH22 ARG 21 HH22 ARG 21 -6.680 1.124 18.690
131 H CYS 22 H CYS 22 -0.307 1.397 14.387
132 HA CYS 22 HA CYS 22 2.117 0.809 15.713
133 HB2 CYS 22 HB2 CYS 22 1.047 3.601 15.396
134 HB3 CYS 22 HB3 CYS 22 2.716 3.044 15.318
135 H GLU 23 H GLU 23 2.884 1.418 17.738
136 HA GLU 23 HA GLU 23 1.039 1.280 19.863
137 HB2 GLU 23 HB2 GLU 23 3.049 1.929 21.273
138 HB3 GLU 23 HB3 GLU 23 3.224 0.483 20.288
139 HG2 GLU 23 HG2 GLU 23 4.137 2.487 18.636
140 HG3 GLU 23 HG3 GLU 23 4.714 2.972 20.229
141 H SER 24 H SER 24 1.108 2.955 21.699
142 HA SER 24 HA SER 24 0.020 5.382 20.681
143 HB2 SER 24 HB2 SER 24 0.093 4.009 23.191
144 HB3 SER 24 HB3 SER 24 0.609 5.675 23.447
145 HG SER 24 HG SER 24 -1.451 6.082 23.403
146 H GLY 25 H GLY 25 2.718 4.995 19.835
147 HA2 GLY 25 HA2 GLY 25 3.827 7.523 20.791
148 HA3 GLY 25 HA3 GLY 25 4.826 6.091 20.994
149 H PHE 26 H PHE 26 3.198 5.376 18.318
150 HA PHE 26 HA PHE 26 5.101 6.762 16.546
151 HB2 PHE 26 HB2 PHE 26 4.148 3.897 16.390
152 HB3 PHE 26 HB3 PHE 26 5.096 4.698 15.142
153 HD1 PHE 26 HD1 PHE 26 5.273 4.335 18.856
154 HD2 PHE 26 HD2 PHE 26 7.305 4.117 15.122
155 HE1 PHE 26 HE1 PHE 26 7.342 3.693 20.023
156 HE2 PHE 26 HE2 PHE 26 9.377 3.474 16.283
157 HZ PHE 26 HZ PHE 26 9.397 3.261 18.737
158 H HIS 27 H HIS 27 4.300 6.320 14.132
159 HA HIS 27 HA HIS 27 1.398 6.745 13.999
160 HB2 HIS 27 HB2 HIS 27 1.983 8.488 12.157
161 HB3 HIS 27 HB3 HIS 27 2.081 8.966 13.850
162 HD1 HIS 27 HD1 HIS 27 4.316 9.749 14.700
163 HD2 HIS 27 HD2 HIS 27 4.545 8.030 10.924
164 HE1 HIS 27 HE1 HIS 27 6.654 10.205 13.894
165 H ASP 28 H ASP 28 0.412 5.722 12.354
166 HA ASP 28 HA ASP 28 1.751 3.742 10.889
167 HB2 ASP 28 HB2 ASP 28 -0.546 3.382 11.221
168 HB3 ASP 28 HB3 ASP 28 -0.973 4.993 10.650
169 H CYS 29 H CYS 29 3.144 4.005 9.286
170 HA CYS 29 HA CYS 29 2.667 6.176 7.351
171 HB2 CYS 29 HB2 CYS 29 5.192 6.194 7.062
172 HB3 CYS 29 HB3 CYS 29 4.583 6.848 8.579
173 H GLY 30 H GLY 30 1.927 3.272 7.383
174 HA2 GLY 30 HA2 GLY 30 3.536 1.768 5.666
175 HA3 GLY 30 HA3 GLY 30 1.803 1.554 5.869
176 H SER 31 H SER 31 1.890 4.609 4.968
177 HA SER 31 HA SER 31 0.794 4.330 2.483
178 HB2 SER 31 HB2 SER 31 2.185 6.718 2.247
179 HB3 SER 31 HB3 SER 31 0.580 6.521 2.950
180 HG SER 31 HG SER 31 1.573 7.355 4.628
181 H ASP 32 H ASP 32 4.131 5.517 2.874
182 HA ASP 32 HA ASP 32 4.796 4.214 0.322
183 HB2 ASP 32 HB2 ASP 32 6.792 5.822 0.403
184 HB3 ASP 32 HB3 ASP 32 5.205 6.523 0.098
185 H HIS 33 H HIS 33 4.735 2.891 2.940
186 HA HIS 33 HA HIS 33 7.420 1.774 2.845
187 HB2 HIS 33 HB2 HIS 33 6.226 2.691 5.466
188 HB3 HIS 33 HB3 HIS 33 7.810 1.962 5.221
189 HD1 HIS 33 HD1 HIS 33 6.388 5.116 5.837
190 HD2 HIS 33 HD2 HIS 33 9.350 3.761 3.258
191 HE1 HIS 33 HE1 HIS 33 7.734 7.152 5.230
192 H TRP 34 H TRP 34 7.265 -0.363 2.811
193 HA TRP 34 HA TRP 34 4.918 -1.618 4.078
194 HB2 TRP 34 HB2 TRP 34 5.531 -3.471 2.268
195 HB3 TRP 34 HB3 TRP 34 4.484 -2.108 1.882
196 HD1 TRP 34 HD1 TRP 34 5.099 -0.953 -0.306
197 HE1 TRP 34 HE1 TRP 34 7.237 -0.658 -1.709
198 HE3 TRP 34 HE3 TRP 34 8.413 -3.369 2.746
199 HZ2 TRP 34 HZ2 TRP 34 9.966 -1.358 -1.544
200 HZ3 TRP 34 HZ3 TRP 34 10.769 -3.512 2.050
201 HH2 TRP 34 HH2 TRP 34 11.527 -2.528 -0.051
202 H CYS 35 H CYS 35 5.316 -4.004 4.551
203 HA CYS 35 HA CYS 35 7.949 -4.245 5.832
204 HB2 CYS 35 HB2 CYS 35 5.228 -5.307 6.482
205 HB3 CYS 35 HB3 CYS 35 6.646 -6.190 7.037
206 H ASP 36 H ASP 36 8.692 -6.594 6.066
207 HA ASP 36 HA ASP 36 9.430 -7.636 3.649
208 HB2 ASP 36 HB2 ASP 36 9.197 -8.789 6.388
209 HB3 ASP 36 HB3 ASP 36 9.496 -9.895 5.051
210 H ALA 37 H ALA 37 6.522 -8.376 5.503
211 HA ALA 37 HA ALA 37 5.629 -10.258 3.458
212 HB1 ALA 37 HB1 ALA 37 4.352 -11.204 5.039
213 HB2 ALA 37 HB2 ALA 37 5.359 -10.293 6.164
214 HB3 ALA 37 HB3 ALA 37 3.796 -9.651 5.662
215 H SER 38 H SER 38 4.379 -9.643 1.829
216 HA SER 38 HA SER 38 3.504 -7.021 1.428
217 HB2 SER 38 HB2 SER 38 2.222 -7.918 -0.465
218 HB3 SER 38 HB3 SER 38 3.834 -8.630 -0.406
219 HG SER 38 HG SER 38 1.518 -9.886 -0.417
220 H GLY 39 H GLY 39 2.470 -6.557 3.490
221 HA2 GLY 39 HA2 GLY 39 -0.277 -6.377 3.369
222 HA3 GLY 39 HA3 GLY 39 0.047 -7.866 4.244
223 H ASP 40 H ASP 40 2.589 -6.565 5.284
224 HA ASP 40 HA ASP 40 1.323 -5.341 7.601
225 HB2 ASP 40 HB2 ASP 40 3.957 -6.584 7.021
226 HB3 ASP 40 HB3 ASP 40 3.929 -5.320 8.247
227 H ARG 41 H ARG 41 1.402 -3.233 8.109
228 HA ARG 41 HA ARG 41 2.665 -1.431 6.190
229 HB2 ARG 41 HB2 ARG 41 1.348 0.181 7.968
230 HB3 ARG 41 HB3 ARG 41 0.666 -0.442 6.471
231 HG2 ARG 41 HG2 ARG 41 -0.396 -2.245 7.628
232 HG3 ARG 41 HG3 ARG 41 0.427 -1.826 9.132
233 HD2 ARG 41 HD2 ARG 41 -1.629 -0.862 9.477
234 HD3 ARG 41 HD3 ARG 41 -0.742 0.488 8.771
235 HE ARG 41 HE ARG 41 -2.928 -0.980 7.577
236 HH11 ARG 41 HH11 ARG 41 -0.253 1.188 7.063
237 HH12 ARG 41 HH12 ARG 41 -0.882 1.821 5.578
238 HH21 ARG 41 HH21 ARG 41 -3.766 -0.156 5.623
239 HH22 ARG 41 HH22 ARG 41 -2.881 1.056 4.760
240 H CYS 42 H CYS 42 4.395 -0.204 6.636
241 HA CYS 42 HA CYS 42 5.806 -0.651 9.108
242 HB2 CYS 42 HB2 CYS 42 6.399 0.632 6.496
243 HB3 CYS 42 HB3 CYS 42 7.311 1.206 7.888
244 H CYS 43 H CYS 43 5.834 0.615 10.852
245 HA CYS 43 HA CYS 43 4.331 3.124 10.760
246 HB2 CYS 43 HB2 CYS 43 5.232 1.355 13.033
247 HB3 CYS 43 HB3 CYS 43 4.537 2.952 13.293
248 H CYS 44 H CYS 44 5.160 4.994 11.949
249 HA CYS 44 HA CYS 44 8.088 5.093 12.134
250 HB2 CYS 44 HB2 CYS 44 6.392 7.193 10.768
251 HB3 CYS 44 HB3 CYS 44 8.138 7.249 10.987
252 H ALA 45 H ALA 45 8.814 6.090 13.910
253 HA ALA 45 HA ALA 45 6.917 7.089 15.830
254 HB1 ALA 45 HB1 ALA 45 9.820 7.417 16.304
255 HB2 ALA 45 HB2 ALA 45 8.553 6.826 17.379
256 HB3 ALA 45 HB3 ALA 45 9.214 5.769 16.132
Start of MODEL 2
1 H CYS 1 H CYS 1 0.613 1.323 -0.741
2 HA CYS 1 HA CYS 1 1.483 1.143 -3.377
3 HB2 CYS 1 HB2 CYS 1 3.698 1.594 -2.539
4 HB3 CYS 1 HB3 CYS 1 2.544 2.519 -1.583
5 H TYR 2 H TYR 2 3.585 -0.147 -3.935
6 HA TYR 2 HA TYR 2 3.188 -2.954 -3.131
7 HB2 TYR 2 HB2 TYR 2 2.876 -1.815 -5.709
8 HB3 TYR 2 HB3 TYR 2 4.337 -2.796 -5.750
9 HD1 TYR 2 HD1 TYR 2 1.233 -3.378 -3.785
10 HD2 TYR 2 HD2 TYR 2 3.694 -4.660 -7.011
11 HE1 TYR 2 HE1 TYR 2 -0.141 -5.404 -4.020
12 HE2 TYR 2 HE2 TYR 2 2.326 -6.689 -7.256
13 HH TYR 2 HH TYR 2 -0.392 -7.180 -6.496
14 HA PRO 3 HA PRO 3 7.471 -3.198 -2.210
15 HB2 PRO 3 HB2 PRO 3 8.069 -5.728 -2.991
16 HB3 PRO 3 HB3 PRO 3 7.098 -5.369 -1.558
17 HG2 PRO 3 HG2 PRO 3 6.203 -6.176 -4.298
18 HG3 PRO 3 HG3 PRO 3 5.616 -6.733 -2.720
19 HD2 PRO 3 HD2 PRO 3 4.302 -4.879 -4.192
20 HD3 PRO 3 HD3 PRO 3 4.289 -4.873 -2.417
21 H GLY 4 H GLY 4 7.931 -1.581 -3.944
22 HA2 GLY 4 HA2 GLY 4 10.104 -1.741 -5.331
23 HA3 GLY 4 HA3 GLY 4 9.123 -2.785 -6.350
24 H GLN 5 H GLN 5 7.103 -0.503 -5.086
25 HA GLN 5 HA GLN 5 6.869 0.860 -7.592
26 HB2 GLN 5 HB2 GLN 5 5.521 1.393 -4.939
27 HB3 GLN 5 HB3 GLN 5 5.072 2.130 -6.471
28 HG2 GLN 5 HG2 GLN 5 4.742 -0.278 -7.298
29 HG3 GLN 5 HG3 GLN 5 4.753 -0.710 -5.589
30 HE21 GLN 5 HE21 GLN 5 2.709 -0.406 -7.939
31 HE22 GLN 5 HE22 GLN 5 1.355 0.324 -7.154
32 HA PRO 6 HA PRO 6 9.431 4.361 -6.937
33 HB2 PRO 6 HB2 PRO 6 8.021 6.303 -8.207
34 HB3 PRO 6 HB3 PRO 6 8.879 5.020 -9.068
35 HG2 PRO 6 HG2 PRO 6 5.971 5.231 -8.389
36 HG3 PRO 6 HG3 PRO 6 6.731 4.704 -9.902
37 HD2 PRO 6 HD2 PRO 6 5.753 2.958 -8.078
38 HD3 PRO 6 HD3 PRO 6 7.159 2.587 -9.096
39 H GLY 7 H GLY 7 8.989 4.321 -4.585
40 HA2 GLY 7 HA2 GLY 7 8.685 6.602 -3.317
41 HA3 GLY 7 HA3 GLY 7 6.998 6.263 -3.671
42 H CYS 8 H CYS 8 7.404 3.352 -3.366
43 HA CYS 8 HA CYS 8 7.250 3.297 -0.446
44 HB2 CYS 8 HB2 CYS 8 5.531 2.261 -2.179
45 HB3 CYS 8 HB3 CYS 8 6.651 0.903 -2.127
46 H GLY 9 H GLY 9 8.271 1.562 0.752
47 HA2 GLY 9 HA2 GLY 9 10.191 -0.180 -0.333
48 HA3 GLY 9 HA3 GLY 9 11.005 1.293 0.174
49 H HIS 10 H HIS 10 12.007 -0.605 1.491
50 HA HIS 10 HA HIS 10 10.554 -1.610 3.713
51 HB2 HIS 10 HB2 HIS 10 12.904 -2.123 4.592
52 HB3 HIS 10 HB3 HIS 10 12.438 -2.874 3.069
53 HD1 HIS 10 HD1 HIS 10 13.787 -2.276 1.008
54 HD2 HIS 10 HD2 HIS 10 14.815 -0.020 4.341
55 HE1 HIS 10 HE1 HIS 10 15.885 -1.047 0.366
56 H CYS 11 H CYS 11 10.001 -0.625 5.534
57 HA CYS 11 HA CYS 11 10.633 2.070 6.066
58 HB2 CYS 11 HB2 CYS 11 9.400 1.795 8.113
59 HB3 CYS 11 HB3 CYS 11 8.578 0.877 6.856
60 H SER 12 H SER 12 11.642 2.865 8.093
61 HA SER 12 HA SER 12 13.652 1.161 9.299
62 HB2 SER 12 HB2 SER 12 14.866 1.900 7.341
63 HB3 SER 12 HB3 SER 12 14.406 3.576 7.638
64 HG SER 12 HG SER 12 15.961 1.997 9.411
65 H ARG 13 H ARG 13 14.497 1.991 11.234
66 HA ARG 13 HA ARG 13 12.872 3.332 12.924
67 HB2 ARG 13 HB2 ARG 13 15.854 3.105 12.812
68 HB3 ARG 13 HB3 ARG 13 15.116 4.128 14.038
69 HG2 ARG 13 HG2 ARG 13 14.409 1.232 13.640
70 HG3 ARG 13 HG3 ARG 13 15.638 1.800 14.772
71 HD2 ARG 13 HD2 ARG 13 13.941 3.154 15.916
72 HD3 ARG 13 HD3 ARG 13 12.719 2.558 14.793
73 HE ARG 13 HE ARG 13 13.824 0.309 15.897
74 HH11 ARG 13 HH11 ARG 13 12.244 3.162 17.117
75 HH12 ARG 13 HH12 ARG 13 11.583 2.361 18.504
76 HH21 ARG 13 HH21 ARG 13 12.959 -0.756 17.720
77 HH22 ARG 13 HH22 ARG 13 11.991 0.133 18.847
78 HA PRO 14 HA PRO 14 12.876 4.749 14.687
79 HB2 PRO 14 HB2 PRO 14 10.778 6.415 15.130
80 HB3 PRO 14 HB3 PRO 14 12.447 6.845 15.525
81 HG2 PRO 14 HG2 PRO 14 10.809 7.607 13.138
82 HG3 PRO 14 HG3 PRO 14 11.896 8.611 14.116
83 HD2 PRO 14 HD2 PRO 14 12.628 7.571 11.725
84 HD3 PRO 14 HD3 PRO 14 13.783 7.826 13.050
85 H ASN 15 H ASN 15 11.811 4.409 11.696
86 HA ASN 15 HA ASN 15 9.084 3.582 12.209
87 HB2 ASN 15 HB2 ASN 15 10.535 2.947 9.667
88 HB3 ASN 15 HB3 ASN 15 8.844 3.375 9.910
89 HD21 ASN 15 HD21 ASN 15 10.815 4.473 8.062
90 HD22 ASN 15 HD22 ASN 15 10.890 6.166 8.396
91 H TYR 16 H TYR 16 8.309 1.482 12.163
92 HA TYR 16 HA TYR 16 10.235 -0.705 11.945
93 HB2 TYR 16 HB2 TYR 16 9.602 -1.697 14.047
94 HB3 TYR 16 HB3 TYR 16 10.114 -0.041 14.352
95 HD1 TYR 16 HD1 TYR 16 7.476 -2.440 14.711
96 HD2 TYR 16 HD2 TYR 16 8.313 1.731 14.653
97 HE1 TYR 16 HE1 TYR 16 5.347 -2.003 15.861
98 HE2 TYR 16 HE2 TYR 16 6.187 2.180 15.804
99 HH TYR 16 HH TYR 16 4.065 1.178 16.208
100 H CYS 17 H CYS 17 8.843 -2.855 12.465
101 HA CYS 17 HA CYS 17 6.782 -2.847 10.431
102 HB2 CYS 17 HB2 CYS 17 8.407 -4.887 11.830
103 HB3 CYS 17 HB3 CYS 17 6.792 -5.394 11.346
104 H GLU 18 H GLU 18 4.632 -3.069 10.738
105 HA GLU 18 HA GLU 18 3.604 -3.768 13.374
106 HB2 GLU 18 HB2 GLU 18 3.925 -1.238 13.208
107 HB3 GLU 18 HB3 GLU 18 2.635 -1.260 12.013
108 HG2 GLU 18 HG2 GLU 18 2.241 -0.874 14.639
109 HG3 GLU 18 HG3 GLU 18 1.033 -1.558 13.553
110 H GLY 19 H GLY 19 2.472 -5.519 12.749
111 HA2 GLY 19 HA2 GLY 19 0.835 -5.387 10.328
112 HA3 GLY 19 HA3 GLY 19 1.193 -6.833 11.261
113 H ALA 20 H ALA 20 0.268 -4.145 13.135
114 HA ALA 20 HA ALA 20 -2.554 -4.931 13.132
115 HB1 ALA 20 HB1 ALA 20 -2.304 -6.082 15.021
116 HB2 ALA 20 HB2 ALA 20 -0.656 -5.496 15.248
117 HB3 ALA 20 HB3 ALA 20 -2.019 -4.534 15.819
118 H ARG 21 H ARG 21 -0.648 -2.920 15.351
119 HA ARG 21 HA ARG 21 -1.630 -0.472 14.181
120 HB2 ARG 21 HB2 ARG 21 -3.105 -1.718 16.276
121 HB3 ARG 21 HB3 ARG 21 -2.345 -0.275 16.934
122 HG2 ARG 21 HG2 ARG 21 -3.343 0.625 14.550
123 HG3 ARG 21 HG3 ARG 21 -4.564 -0.540 15.065
124 HD2 ARG 21 HD2 ARG 21 -5.386 1.136 16.298
125 HD3 ARG 21 HD3 ARG 21 -4.034 0.813 17.383
126 HE ARG 21 HE ARG 21 -3.095 2.795 16.738
127 HH11 ARG 21 HH11 ARG 21 -5.540 1.896 14.429
128 HH12 ARG 21 HH12 ARG 21 -5.457 3.394 13.562
129 HH21 ARG 21 HH21 ARG 21 -2.976 4.771 15.606
130 HH22 ARG 21 HH22 ARG 21 -3.998 5.028 14.232
131 H CYS 22 H CYS 22 -0.428 1.304 14.766
132 HA CYS 22 HA CYS 22 2.158 0.856 15.781
133 HB2 CYS 22 HB2 CYS 22 0.730 3.513 15.580
134 HB3 CYS 22 HB3 CYS 22 2.470 3.245 15.605
135 H GLU 23 H GLU 23 3.138 1.903 17.666
136 HA GLU 23 HA GLU 23 1.612 1.366 20.030
137 HB2 GLU 23 HB2 GLU 23 4.359 2.594 19.734
138 HB3 GLU 23 HB3 GLU 23 3.656 2.008 21.234
139 HG2 GLU 23 HG2 GLU 23 3.423 -0.191 19.682
140 HG3 GLU 23 HG3 GLU 23 4.888 0.532 19.018
141 H SER 24 H SER 24 1.745 3.013 21.890
142 HA SER 24 HA SER 24 0.280 5.321 21.090
143 HB2 SER 24 HB2 SER 24 0.779 3.914 23.512
144 HB3 SER 24 HB3 SER 24 1.229 5.599 23.773
145 HG SER 24 HG SER 24 -0.849 6.184 23.005
146 H GLY 25 H GLY 25 2.818 5.292 19.851
147 HA2 GLY 25 HA2 GLY 25 3.697 7.944 20.521
148 HA3 GLY 25 HA3 GLY 25 4.872 6.713 20.960
149 H PHE 26 H PHE 26 2.975 5.889 18.267
150 HA PHE 26 HA PHE 26 4.977 6.941 16.395
151 HB2 PHE 26 HB2 PHE 26 4.003 4.080 16.526
152 HB3 PHE 26 HB3 PHE 26 4.954 4.748 15.203
153 HD1 PHE 26 HD1 PHE 26 7.189 4.269 15.238
154 HD2 PHE 26 HD2 PHE 26 5.107 4.632 18.933
155 HE1 PHE 26 HE1 PHE 26 9.259 3.728 16.453
156 HE2 PHE 26 HE2 PHE 26 7.174 4.092 20.154
157 HZ PHE 26 HZ PHE 26 9.253 3.640 18.914
158 H HIS 27 H HIS 27 4.169 6.302 14.041
159 HA HIS 27 HA HIS 27 1.265 6.664 13.864
160 HB2 HIS 27 HB2 HIS 27 1.901 8.291 11.884
161 HB3 HIS 27 HB3 HIS 27 1.798 8.881 13.540
162 HD1 HIS 27 HD1 HIS 27 3.948 9.694 14.637
163 HD2 HIS 27 HD2 HIS 27 4.537 8.076 10.857
164 HE1 HIS 27 HE1 HIS 27 6.312 10.283 14.015
165 H ASP 28 H ASP 28 0.351 5.401 12.374
166 HA ASP 28 HA ASP 28 1.786 3.444 10.989
167 HB2 ASP 28 HB2 ASP 28 -0.477 2.960 11.397
168 HB3 ASP 28 HB3 ASP 28 -1.019 4.498 10.729
169 H CYS 29 H CYS 29 3.137 3.704 9.349
170 HA CYS 29 HA CYS 29 2.524 5.768 7.336
171 HB2 CYS 29 HB2 CYS 29 5.035 5.752 6.915
172 HB3 CYS 29 HB3 CYS 29 4.504 6.472 8.432
173 H GLY 30 H GLY 30 1.755 2.886 7.481
174 HA2 GLY 30 HA2 GLY 30 3.235 1.255 5.801
175 HA3 GLY 30 HA3 GLY 30 1.489 1.170 5.978
176 H SER 31 H SER 31 1.649 4.144 4.993
177 HA SER 31 HA SER 31 0.642 3.850 2.490
178 HB2 SER 31 HB2 SER 31 1.513 6.167 2.013
179 HB3 SER 31 HB3 SER 31 0.633 6.013 3.533
180 HG SER 31 HG SER 31 2.476 6.217 4.644
181 H ASP 32 H ASP 32 3.975 5.035 2.833
182 HA ASP 32 HA ASP 32 4.666 3.532 0.401
183 HB2 ASP 32 HB2 ASP 32 6.716 5.192 0.548
184 HB3 ASP 32 HB3 ASP 32 5.176 5.714 -0.129
185 H HIS 33 H HIS 33 4.591 2.375 3.071
186 HA HIS 33 HA HIS 33 7.315 1.341 3.118
187 HB2 HIS 33 HB2 HIS 33 5.958 2.402 5.605
188 HB3 HIS 33 HB3 HIS 33 7.520 1.592 5.546
189 HD1 HIS 33 HD1 HIS 33 6.415 4.776 6.109
190 HD2 HIS 33 HD2 HIS 33 9.089 3.245 3.322
191 HE1 HIS 33 HE1 HIS 33 7.848 6.722 5.413
192 H TRP 34 H TRP 34 7.114 -0.784 2.957
193 HA TRP 34 HA TRP 34 4.839 -2.086 4.304
194 HB2 TRP 34 HB2 TRP 34 5.459 -3.932 2.490
195 HB3 TRP 34 HB3 TRP 34 4.376 -2.593 2.118
196 HD1 TRP 34 HD1 TRP 34 4.949 -1.346 -0.036
197 HE1 TRP 34 HE1 TRP 34 7.047 -1.045 -1.496
198 HE3 TRP 34 HE3 TRP 34 8.318 -3.888 2.850
199 HZ2 TRP 34 HZ2 TRP 34 9.769 -1.788 -1.434
200 HZ3 TRP 34 HZ3 TRP 34 10.649 -4.046 2.078
201 HH2 TRP 34 HH2 TRP 34 11.357 -3.018 -0.020
202 H CYS 35 H CYS 35 5.259 -4.391 4.903
203 HA CYS 35 HA CYS 35 7.939 -4.600 6.078
204 HB2 CYS 35 HB2 CYS 35 5.250 -5.691 6.821
205 HB3 CYS 35 HB3 CYS 35 6.701 -6.524 7.370
206 H ASP 36 H ASP 36 8.625 -6.998 6.391
207 HA ASP 36 HA ASP 36 9.354 -8.070 3.970
208 HB2 ASP 36 HB2 ASP 36 9.137 -9.187 6.730
209 HB3 ASP 36 HB3 ASP 36 9.443 -10.302 5.400
210 H ALA 37 H ALA 37 6.464 -8.759 5.870
211 HA ALA 37 HA ALA 37 5.540 -10.680 3.876
212 HB1 ALA 37 HB1 ALA 37 5.271 -10.587 6.606
213 HB2 ALA 37 HB2 ALA 37 3.691 -10.047 6.038
214 HB3 ALA 37 HB3 ALA 37 4.332 -11.603 5.512
215 H SER 38 H SER 38 4.328 -10.061 2.222
216 HA SER 38 HA SER 38 3.449 -7.453 1.781
217 HB2 SER 38 HB2 SER 38 3.071 -10.072 0.487
218 HB3 SER 38 HB3 SER 38 1.773 -8.915 0.191
219 HG SER 38 HG SER 38 3.447 -7.418 -0.446
220 H GLY 39 H GLY 39 2.422 -6.938 3.832
221 HA2 GLY 39 HA2 GLY 39 -0.318 -6.734 3.722
222 HA3 GLY 39 HA3 GLY 39 -0.013 -8.222 4.606
223 H ASP 40 H ASP 40 2.543 -6.964 5.646
224 HA ASP 40 HA ASP 40 1.308 -5.734 7.968
225 HB2 ASP 40 HB2 ASP 40 3.953 -6.930 7.335
226 HB3 ASP 40 HB3 ASP 40 3.924 -5.672 8.568
227 H ARG 41 H ARG 41 1.313 -3.624 8.438
228 HA ARG 41 HA ARG 41 2.558 -1.803 6.524
229 HB2 ARG 41 HB2 ARG 41 1.169 -0.243 8.326
230 HB3 ARG 41 HB3 ARG 41 0.565 -0.809 6.775
231 HG2 ARG 41 HG2 ARG 41 -0.529 -2.667 7.798
232 HG3 ARG 41 HG3 ARG 41 0.233 -2.323 9.353
233 HD2 ARG 41 HD2 ARG 41 -1.791 -1.348 9.721
234 HD3 ARG 41 HD3 ARG 41 -0.952 0.019 8.989
235 HE ARG 41 HE ARG 41 -3.116 -1.514 7.845
236 HH11 ARG 41 HH11 ARG 41 -0.490 0.693 7.251
237 HH12 ARG 41 HH12 ARG 41 -1.151 1.284 5.763
238 HH21 ARG 41 HH21 ARG 41 -3.997 -0.744 5.887
239 HH22 ARG 41 HH22 ARG 41 -3.146 0.466 4.988
240 H CYS 42 H CYS 42 4.314 -0.636 6.967
241 HA CYS 42 HA CYS 42 5.640 -0.979 9.503
242 HB2 CYS 42 HB2 CYS 42 6.334 0.162 6.850
243 HB3 CYS 42 HB3 CYS 42 7.209 0.798 8.240
244 H CYS 43 H CYS 43 5.739 0.416 11.158
245 HA CYS 43 HA CYS 43 4.197 2.893 10.934
246 HB2 CYS 43 HB2 CYS 43 5.146 1.256 13.280
247 HB3 CYS 43 HB3 CYS 43 4.500 2.881 13.481
248 H CYS 44 H CYS 44 5.022 4.842 12.009
249 HA CYS 44 HA CYS 44 7.951 4.996 12.113
250 HB2 CYS 44 HB2 CYS 44 6.178 6.959 10.643
251 HB3 CYS 44 HB3 CYS 44 7.920 7.103 10.852
252 H ALA 45 H ALA 45 8.694 6.091 13.820
253 HA ALA 45 HA ALA 45 6.820 7.195 15.707
254 HB1 ALA 45 HB1 ALA 45 8.469 7.004 17.245
255 HB2 ALA 45 HB2 ALA 45 9.139 5.904 16.040
256 HB3 ALA 45 HB3 ALA 45 9.721 7.566 16.136
Start of MODEL 3
1 H CYS 1 H CYS 1 1.717 -0.321 0.694
2 HA CYS 1 HA CYS 1 1.487 0.137 -2.208
3 HB2 CYS 1 HB2 CYS 1 3.987 0.811 -1.965
4 HB3 CYS 1 HB3 CYS 1 2.742 1.973 -1.517
5 H TYR 2 H TYR 2 2.998 -1.044 -3.539
6 HA TYR 2 HA TYR 2 3.402 -3.733 -2.545
7 HB2 TYR 2 HB2 TYR 2 2.915 -2.557 -5.077
8 HB3 TYR 2 HB3 TYR 2 4.479 -3.358 -5.175
9 HD1 TYR 2 HD1 TYR 2 1.540 -4.388 -3.151
10 HD2 TYR 2 HD2 TYR 2 3.998 -5.218 -6.523
11 HE1 TYR 2 HE1 TYR 2 0.407 -6.553 -3.436
12 HE2 TYR 2 HE2 TYR 2 2.871 -7.385 -6.818
13 HH TYR 2 HH TYR 2 1.141 -8.879 -4.559
14 HA PRO 3 HA PRO 3 7.695 -3.501 -1.666
15 HB2 PRO 3 HB2 PRO 3 8.540 -5.959 -2.450
16 HB3 PRO 3 HB3 PRO 3 7.560 -5.697 -1.002
17 HG2 PRO 3 HG2 PRO 3 6.711 -6.604 -3.725
18 HG3 PRO 3 HG3 PRO 3 6.209 -7.212 -2.137
19 HD2 PRO 3 HD2 PRO 3 4.687 -5.511 -3.592
20 HD3 PRO 3 HD3 PRO 3 4.701 -5.498 -1.817
21 H GLY 4 H GLY 4 8.054 -1.854 -3.347
22 HA2 GLY 4 HA2 GLY 4 10.133 -1.690 -4.776
23 HA3 GLY 4 HA3 GLY 4 9.393 -2.963 -5.735
24 H GLN 5 H GLN 5 7.140 -0.766 -4.480
25 HA GLN 5 HA GLN 5 6.493 0.197 -7.099
26 HB2 GLN 5 HB2 GLN 5 5.389 0.918 -4.380
27 HB3 GLN 5 HB3 GLN 5 4.726 1.489 -5.906
28 HG2 GLN 5 HG2 GLN 5 4.693 -1.139 -6.384
29 HG3 GLN 5 HG3 GLN 5 4.542 -1.165 -4.628
30 HE21 GLN 5 HE21 GLN 5 2.841 -1.152 -7.412
31 HE22 GLN 5 HE22 GLN 5 1.353 -0.476 -6.853
32 HA PRO 6 HA PRO 6 8.715 3.978 -7.222
33 HB2 PRO 6 HB2 PRO 6 6.965 5.595 -8.525
34 HB3 PRO 6 HB3 PRO 6 7.846 4.289 -9.327
35 HG2 PRO 6 HG2 PRO 6 5.033 4.327 -8.303
36 HG3 PRO 6 HG3 PRO 6 5.661 3.671 -9.826
37 HD2 PRO 6 HD2 PRO 6 5.098 2.107 -7.688
38 HD3 PRO 6 HD3 PRO 6 6.405 1.730 -8.829
39 H GLY 7 H GLY 7 8.765 4.448 -4.967
40 HA2 GLY 7 HA2 GLY 7 8.352 6.722 -3.888
41 HA3 GLY 7 HA3 GLY 7 6.655 6.289 -4.037
42 H CYS 8 H CYS 8 7.248 3.445 -3.430
43 HA CYS 8 HA CYS 8 7.330 3.746 -0.523
44 HB2 CYS 8 HB2 CYS 8 5.494 2.471 -1.845
45 HB3 CYS 8 HB3 CYS 8 6.694 1.188 -1.965
46 H GLY 9 H GLY 9 8.355 1.828 0.669
47 HA2 GLY 9 HA2 GLY 9 10.410 0.297 -0.450
48 HA3 GLY 9 HA3 GLY 9 11.119 1.807 0.100
49 H HIS 10 H HIS 10 12.210 -0.155 1.325
50 HA HIS 10 HA HIS 10 10.822 -1.246 3.545
51 HB2 HIS 10 HB2 HIS 10 13.214 -1.766 2.327
52 HB3 HIS 10 HB3 HIS 10 13.740 -0.985 3.815
53 HD1 HIS 10 HD1 HIS 10 13.804 -4.146 2.846
54 HD2 HIS 10 HD2 HIS 10 11.541 -2.371 5.844
55 HE1 HIS 10 HE1 HIS 10 13.206 -6.007 4.428
56 H CYS 11 H CYS 11 10.213 -0.259 5.343
57 HA CYS 11 HA CYS 11 10.876 2.411 5.952
58 HB2 CYS 11 HB2 CYS 11 9.600 2.107 7.969
59 HB3 CYS 11 HB3 CYS 11 8.789 1.233 6.674
60 H SER 12 H SER 12 11.798 3.095 8.099
61 HA SER 12 HA SER 12 13.786 1.346 9.260
62 HB2 SER 12 HB2 SER 12 14.936 3.918 8.315
63 HB3 SER 12 HB3 SER 12 15.700 2.338 8.492
64 HG SER 12 HG SER 12 15.461 2.890 6.300
65 H ARG 13 H ARG 13 14.598 2.099 11.243
66 HA ARG 13 HA ARG 13 12.937 3.377 12.949
67 HB2 ARG 13 HB2 ARG 13 15.913 3.112 12.895
68 HB3 ARG 13 HB3 ARG 13 15.175 4.124 14.130
69 HG2 ARG 13 HG2 ARG 13 13.824 1.589 13.950
70 HG3 ARG 13 HG3 ARG 13 15.556 1.368 14.206
71 HD2 ARG 13 HD2 ARG 13 15.500 2.274 16.279
72 HD3 ARG 13 HD3 ARG 13 14.257 3.447 15.847
73 HE ARG 13 HE ARG 13 13.348 0.709 16.019
74 HH11 ARG 13 HH11 ARG 13 13.816 3.729 17.688
75 HH12 ARG 13 HH12 ARG 13 12.638 3.385 18.911
76 HH21 ARG 13 HH21 ARG 13 11.796 0.245 17.625
77 HH22 ARG 13 HH22 ARG 13 11.491 1.403 18.875
78 HA PRO 14 HA PRO 14 12.926 4.723 14.775
79 HB2 PRO 14 HB2 PRO 14 10.833 6.385 15.253
80 HB3 PRO 14 HB3 PRO 14 12.498 6.787 15.690
81 HG2 PRO 14 HG2 PRO 14 10.902 7.656 13.312
82 HG3 PRO 14 HG3 PRO 14 11.981 8.612 14.345
83 HD2 PRO 14 HD2 PRO 14 12.743 7.664 11.926
84 HD3 PRO 14 HD3 PRO 14 13.879 7.857 13.277
85 H ASN 15 H ASN 15 11.918 4.490 11.762
86 HA ASN 15 HA ASN 15 9.169 3.692 12.177
87 HB2 ASN 15 HB2 ASN 15 10.732 3.117 9.678
88 HB3 ASN 15 HB3 ASN 15 9.016 3.472 9.855
89 HD21 ASN 15 HD21 ASN 15 11.001 4.691 8.112
90 HD22 ASN 15 HD22 ASN 15 11.000 6.377 8.488
91 H TYR 16 H TYR 16 8.357 1.605 12.055
92 HA TYR 16 HA TYR 16 10.253 -0.610 11.870
93 HB2 TYR 16 HB2 TYR 16 9.554 -1.622 13.929
94 HB3 TYR 16 HB3 TYR 16 10.028 0.035 14.287
95 HD1 TYR 16 HD1 TYR 16 7.424 -2.408 14.510
96 HD2 TYR 16 HD2 TYR 16 8.180 1.780 14.514
97 HE1 TYR 16 HE1 TYR 16 5.239 -2.020 15.571
98 HE2 TYR 16 HE2 TYR 16 5.998 2.178 15.576
99 HH TYR 16 HH TYR 16 3.951 -0.492 16.630
100 H CYS 17 H CYS 17 8.790 -2.741 12.319
101 HA CYS 17 HA CYS 17 6.790 -2.643 10.215
102 HB2 CYS 17 HB2 CYS 17 8.383 -4.745 11.556
103 HB3 CYS 17 HB3 CYS 17 6.774 -5.226 11.026
104 H GLU 18 H GLU 18 4.634 -2.864 10.474
105 HA GLU 18 HA GLU 18 3.556 -3.663 13.061
106 HB2 GLU 18 HB2 GLU 18 3.890 -1.114 12.953
107 HB3 GLU 18 HB3 GLU 18 2.574 -1.120 11.787
108 HG2 GLU 18 HG2 GLU 18 2.160 -0.738 14.362
109 HG3 GLU 18 HG3 GLU 18 1.001 -1.596 13.348
110 H GLY 19 H GLY 19 2.461 -5.400 12.326
111 HA2 GLY 19 HA2 GLY 19 0.887 -5.200 9.877
112 HA3 GLY 19 HA3 GLY 19 1.180 -6.660 10.810
113 H ALA 20 H ALA 20 0.287 -4.111 12.808
114 HA ALA 20 HA ALA 20 -2.566 -4.790 12.645
115 HB1 ALA 20 HB1 ALA 20 -0.960 -4.712 15.197
116 HB2 ALA 20 HB2 ALA 20 -2.703 -4.960 15.077
117 HB3 ALA 20 HB3 ALA 20 -1.594 -6.161 14.415
118 H ARG 21 H ARG 21 -0.628 -2.823 14.886
119 HA ARG 21 HA ARG 21 -1.529 -0.349 13.743
120 HB2 ARG 21 HB2 ARG 21 -3.157 -1.584 15.721
121 HB3 ARG 21 HB3 ARG 21 -2.392 -0.183 16.459
122 HG2 ARG 21 HG2 ARG 21 -3.376 0.482 13.844
123 HG3 ARG 21 HG3 ARG 21 -4.657 -0.227 14.830
124 HD2 ARG 21 HD2 ARG 21 -2.909 1.830 16.073
125 HD3 ARG 21 HD3 ARG 21 -4.104 2.365 14.892
126 HE ARG 21 HE ARG 21 -5.538 0.792 16.565
127 HH11 ARG 21 HH11 ARG 21 -3.402 3.497 17.053
128 HH12 ARG 21 HH12 ARG 21 -4.221 4.055 18.474
129 HH21 ARG 21 HH21 ARG 21 -6.625 1.516 18.435
130 HH22 ARG 21 HH22 ARG 21 -6.054 2.927 19.260
131 H CYS 22 H CYS 22 -0.315 1.385 14.416
132 HA CYS 22 HA CYS 22 2.205 0.880 15.534
133 HB2 CYS 22 HB2 CYS 22 0.822 3.565 15.431
134 HB3 CYS 22 HB3 CYS 22 2.555 3.258 15.458
135 H GLU 23 H GLU 23 3.090 1.276 17.544
136 HA GLU 23 HA GLU 23 1.349 0.958 19.772
137 HB2 GLU 23 HB2 GLU 23 4.273 1.711 19.824
138 HB3 GLU 23 HB3 GLU 23 3.346 0.974 21.123
139 HG2 GLU 23 HG2 GLU 23 3.095 -0.704 18.871
140 HG3 GLU 23 HG3 GLU 23 4.798 -0.278 19.021
141 H SER 24 H SER 24 1.445 2.391 21.711
142 HA SER 24 HA SER 24 0.496 4.943 21.118
143 HB2 SER 24 HB2 SER 24 1.119 3.413 23.520
144 HB3 SER 24 HB3 SER 24 1.433 5.136 23.728
145 HG SER 24 HG SER 24 -0.728 5.480 22.911
146 H GLY 25 H GLY 25 1.949 5.993 19.734
147 HA2 GLY 25 HA2 GLY 25 3.520 7.955 20.517
148 HA3 GLY 25 HA3 GLY 25 4.616 6.605 20.770
149 H PHE 26 H PHE 26 3.545 5.138 18.447
150 HA PHE 26 HA PHE 26 5.074 6.571 16.409
151 HB2 PHE 26 HB2 PHE 26 4.107 3.709 16.540
152 HB3 PHE 26 HB3 PHE 26 5.014 4.390 15.193
153 HD1 PHE 26 HD1 PHE 26 5.225 3.936 18.884
154 HD2 PHE 26 HD2 PHE 26 7.312 4.220 15.185
155 HE1 PHE 26 HE1 PHE 26 7.330 3.388 20.033
156 HE2 PHE 26 HE2 PHE 26 9.420 3.671 16.328
157 HZ PHE 26 HZ PHE 26 9.431 3.254 18.755
158 H HIS 27 H HIS 27 4.262 6.286 14.107
159 HA HIS 27 HA HIS 27 1.331 6.508 13.990
160 HB2 HIS 27 HB2 HIS 27 1.827 8.256 12.124
161 HB3 HIS 27 HB3 HIS 27 1.909 8.754 13.811
162 HD1 HIS 27 HD1 HIS 27 4.148 9.552 14.686
163 HD2 HIS 27 HD2 HIS 27 4.364 7.994 10.841
164 HE1 HIS 27 HE1 HIS 27 6.451 10.129 13.856
165 H ASP 28 H ASP 28 0.352 5.573 12.255
166 HA ASP 28 HA ASP 28 1.757 3.582 10.828
167 HB2 ASP 28 HB2 ASP 28 -0.521 3.138 11.161
168 HB3 ASP 28 HB3 ASP 28 -1.008 4.739 10.612
169 H CYS 29 H CYS 29 3.174 3.935 9.260
170 HA CYS 29 HA CYS 29 2.620 6.092 7.328
171 HB2 CYS 29 HB2 CYS 29 5.165 6.080 7.004
172 HB3 CYS 29 HB3 CYS 29 4.544 6.799 8.487
173 H GLY 30 H GLY 30 1.854 3.224 7.290
174 HA2 GLY 30 HA2 GLY 30 3.440 1.688 5.596
175 HA3 GLY 30 HA3 GLY 30 1.693 1.553 5.725
176 H SER 31 H SER 31 1.901 4.600 4.880
177 HA SER 31 HA SER 31 0.908 4.426 2.358
178 HB2 SER 31 HB2 SER 31 2.217 6.516 3.926
179 HB3 SER 31 HB3 SER 31 2.439 6.728 2.189
180 HG SER 31 HG SER 31 0.486 7.480 2.199
181 H ASP 32 H ASP 32 4.269 5.503 2.796
182 HA ASP 32 HA ASP 32 4.949 4.090 0.306
183 HB2 ASP 32 HB2 ASP 32 7.027 5.705 0.529
184 HB3 ASP 32 HB3 ASP 32 5.503 6.282 -0.138
185 H HIS 33 H HIS 33 4.826 2.821 2.912
186 HA HIS 33 HA HIS 33 7.520 1.722 2.940
187 HB2 HIS 33 HB2 HIS 33 6.223 2.675 5.498
188 HB3 HIS 33 HB3 HIS 33 7.819 1.951 5.326
189 HD1 HIS 33 HD1 HIS 33 6.438 5.085 5.939
190 HD2 HIS 33 HD2 HIS 33 9.344 3.747 3.288
191 HE1 HIS 33 HE1 HIS 33 7.775 7.124 5.323
192 H TRP 34 H TRP 34 7.320 -0.406 2.832
193 HA TRP 34 HA TRP 34 4.971 -1.662 4.097
194 HB2 TRP 34 HB2 TRP 34 5.594 -3.509 2.284
195 HB3 TRP 34 HB3 TRP 34 4.549 -2.146 1.898
196 HD1 TRP 34 HD1 TRP 34 5.169 -1.006 -0.296
197 HE1 TRP 34 HE1 TRP 34 7.315 -0.696 -1.682
198 HE3 TRP 34 HE3 TRP 34 8.481 -3.374 2.796
199 HZ2 TRP 34 HZ2 TRP 34 10.051 -1.367 -1.491
200 HZ3 TRP 34 HZ3 TRP 34 10.844 -3.496 2.121
201 HH2 TRP 34 HH2 TRP 34 11.611 -2.514 0.021
202 H CYS 35 H CYS 35 5.369 -4.062 4.541
203 HA CYS 35 HA CYS 35 8.002 -4.315 5.826
204 HB2 CYS 35 HB2 CYS 35 5.275 -5.350 6.504
205 HB3 CYS 35 HB3 CYS 35 6.694 -6.227 7.067
206 H ASP 36 H ASP 36 8.390 -6.869 6.211
207 HA ASP 36 HA ASP 36 9.382 -7.925 3.906
208 HB2 ASP 36 HB2 ASP 36 8.515 -9.116 6.491
209 HB3 ASP 36 HB3 ASP 36 8.833 -10.224 5.159
210 H ALA 37 H ALA 37 6.135 -8.453 5.225
211 HA ALA 37 HA ALA 37 5.388 -9.914 2.799
212 HB1 ALA 37 HB1 ALA 37 3.842 -9.523 5.359
213 HB2 ALA 37 HB2 ALA 37 3.374 -10.554 4.006
214 HB3 ALA 37 HB3 ALA 37 4.814 -10.936 4.950
215 H SER 38 H SER 38 3.760 -9.245 1.431
216 HA SER 38 HA SER 38 3.355 -6.432 1.230
217 HB2 SER 38 HB2 SER 38 2.175 -6.900 -0.786
218 HB3 SER 38 HB3 SER 38 3.480 -8.083 -0.700
219 HG SER 38 HG SER 38 1.884 -9.433 -1.006
220 H GLY 39 H GLY 39 2.428 -7.162 3.706
221 HA2 GLY 39 HA2 GLY 39 -0.379 -6.394 3.475
222 HA3 GLY 39 HA3 GLY 39 -0.041 -7.901 4.314
223 H ASP 40 H ASP 40 2.564 -6.589 5.246
224 HA ASP 40 HA ASP 40 1.390 -5.398 7.635
225 HB2 ASP 40 HB2 ASP 40 3.987 -6.674 6.956
226 HB3 ASP 40 HB3 ASP 40 4.008 -5.436 8.208
227 H ARG 41 H ARG 41 1.435 -3.290 8.085
228 HA ARG 41 HA ARG 41 2.765 -1.506 6.191
229 HB2 ARG 41 HB2 ARG 41 1.397 0.118 7.926
230 HB3 ARG 41 HB3 ARG 41 0.771 -0.494 6.401
231 HG2 ARG 41 HG2 ARG 41 -0.410 -2.235 7.473
232 HG3 ARG 41 HG3 ARG 41 0.435 -1.963 8.999
233 HD2 ARG 41 HD2 ARG 41 -1.292 -0.687 9.592
234 HD3 ARG 41 HD3 ARG 41 -0.705 0.491 8.419
235 HE ARG 41 HE ARG 41 -2.997 -1.248 8.148
236 HH11 ARG 41 HH11 ARG 41 -0.686 0.790 6.527
237 HH12 ARG 41 HH12 ARG 41 -1.696 1.057 5.144
238 HH21 ARG 41 HH21 ARG 41 -4.335 -0.904 6.333
239 HH22 ARG 41 HH22 ARG 41 -3.771 0.094 5.035
240 H CYS 42 H CYS 42 4.495 -0.300 6.683
241 HA CYS 42 HA CYS 42 5.815 -0.732 9.207
242 HB2 CYS 42 HB2 CYS 42 6.509 0.516 6.602
243 HB3 CYS 42 HB3 CYS 42 7.378 1.100 8.018
244 H CYS 43 H CYS 43 5.825 0.565 10.931
245 HA CYS 43 HA CYS 43 4.309 3.060 10.784
246 HB2 CYS 43 HB2 CYS 43 5.190 1.294 13.057
247 HB3 CYS 43 HB3 CYS 43 4.597 2.927 13.344
248 H CYS 44 H CYS 44 5.115 4.958 11.961
249 HA CYS 44 HA CYS 44 8.042 5.103 12.126
250 HB2 CYS 44 HB2 CYS 44 6.305 7.147 10.725
251 HB3 CYS 44 HB3 CYS 44 8.048 7.251 10.952
252 H ALA 45 H ALA 45 8.758 6.130 13.888
253 HA ALA 45 HA ALA 45 6.850 7.145 15.791
254 HB1 ALA 45 HB1 ALA 45 8.480 6.904 17.348
255 HB2 ALA 45 HB2 ALA 45 9.156 5.840 16.114
256 HB3 ALA 45 HB3 ALA 45 9.749 7.493 16.273
Start of MODEL 4
1 H CYS 1 H CYS 1 1.436 -0.307 0.742
2 HA CYS 1 HA CYS 1 1.368 -0.059 -2.187
3 HB2 CYS 1 HB2 CYS 1 3.842 0.713 -1.898
4 HB3 CYS 1 HB3 CYS 1 2.543 1.881 -1.683
5 H TYR 2 H TYR 2 2.800 -1.430 -3.321
6 HA TYR 2 HA TYR 2 3.356 -3.902 -1.921
7 HB2 TYR 2 HB2 TYR 2 2.753 -3.158 -4.603
8 HB3 TYR 2 HB3 TYR 2 4.312 -3.974 -4.608
9 HD1 TYR 2 HD1 TYR 2 3.948 -6.111 -5.431
10 HD2 TYR 2 HD2 TYR 2 1.272 -4.543 -2.518
11 HE1 TYR 2 HE1 TYR 2 2.811 -8.289 -5.312
12 HE2 TYR 2 HE2 TYR 2 0.129 -6.717 -2.389
13 HH TYR 2 HH TYR 2 1.005 -9.293 -2.957
14 HA PRO 3 HA PRO 3 7.678 -3.435 -1.335
15 HB2 PRO 3 HB2 PRO 3 8.606 -5.922 -1.900
16 HB3 PRO 3 HB3 PRO 3 7.684 -5.550 -0.439
17 HG2 PRO 3 HG2 PRO 3 6.753 -6.781 -3.004
18 HG3 PRO 3 HG3 PRO 3 6.358 -7.237 -1.337
19 HD2 PRO 3 HD2 PRO 3 4.686 -5.770 -2.881
20 HD3 PRO 3 HD3 PRO 3 4.784 -5.567 -1.120
21 H GLY 4 H GLY 4 7.781 -1.972 -3.251
22 HA2 GLY 4 HA2 GLY 4 9.860 -1.968 -4.782
23 HA3 GLY 4 HA3 GLY 4 8.990 -3.251 -5.609
24 H GLN 5 H GLN 5 6.697 -1.203 -4.456
25 HA GLN 5 HA GLN 5 6.142 -0.148 -7.060
26 HB2 GLN 5 HB2 GLN 5 4.821 0.395 -4.395
27 HB3 GLN 5 HB3 GLN 5 4.200 0.917 -5.956
28 HG2 GLN 5 HG2 GLN 5 4.278 -1.596 -6.555
29 HG3 GLN 5 HG3 GLN 5 4.356 -1.836 -4.811
30 HE21 GLN 5 HE21 GLN 5 2.284 -2.228 -7.060
31 HE22 GLN 5 HE22 GLN 5 0.834 -1.594 -6.370
32 HA PRO 6 HA PRO 6 8.098 3.774 -6.851
33 HB2 PRO 6 HB2 PRO 6 6.337 5.324 -8.217
34 HB3 PRO 6 HB3 PRO 6 7.369 4.122 -9.002
35 HG2 PRO 6 HG2 PRO 6 4.492 3.915 -8.200
36 HG3 PRO 6 HG3 PRO 6 5.278 3.377 -9.695
37 HD2 PRO 6 HD2 PRO 6 4.672 1.679 -7.675
38 HD3 PRO 6 HD3 PRO 6 6.085 1.448 -8.725
39 H GLY 7 H GLY 7 8.257 4.905 -5.018
40 HA2 GLY 7 HA2 GLY 7 7.517 6.809 -3.749
41 HA3 GLY 7 HA3 GLY 7 5.858 6.308 -4.044
42 H CYS 8 H CYS 8 7.590 3.581 -3.363
43 HA CYS 8 HA CYS 8 7.207 3.816 -0.460
44 HB2 CYS 8 HB2 CYS 8 5.320 2.585 -1.839
45 HB3 CYS 8 HB3 CYS 8 6.472 1.254 -1.812
46 H GLY 9 H GLY 9 8.445 2.316 0.802
47 HA2 GLY 9 HA2 GLY 9 10.348 0.571 -0.448
48 HA3 GLY 9 HA3 GLY 9 11.086 2.058 0.129
49 H HIS 10 H HIS 10 12.184 0.080 1.296
50 HA HIS 10 HA HIS 10 10.818 -1.068 3.504
51 HB2 HIS 10 HB2 HIS 10 12.660 -2.322 2.880
52 HB3 HIS 10 HB3 HIS 10 13.671 -0.904 2.621
53 HD1 HIS 10 HD1 HIS 10 15.325 -0.441 4.404
54 HD2 HIS 10 HD2 HIS 10 12.179 -2.781 5.777
55 HE1 HIS 10 HE1 HIS 10 15.923 -1.050 6.769
56 H CYS 11 H CYS 11 10.223 -0.111 5.322
57 HA CYS 11 HA CYS 11 10.923 2.536 5.993
58 HB2 CYS 11 HB2 CYS 11 9.638 2.210 7.992
59 HB3 CYS 11 HB3 CYS 11 8.825 1.346 6.691
60 H SER 12 H SER 12 11.846 3.141 8.173
61 HA SER 12 HA SER 12 13.826 1.339 9.266
62 HB2 SER 12 HB2 SER 12 14.554 3.226 7.231
63 HB3 SER 12 HB3 SER 12 15.306 3.703 8.753
64 HG SER 12 HG SER 12 16.080 1.514 8.904
65 H ARG 13 H ARG 13 14.657 2.025 11.269
66 HA ARG 13 HA ARG 13 13.008 3.246 13.028
67 HB2 ARG 13 HB2 ARG 13 16.029 3.376 13.054
68 HB3 ARG 13 HB3 ARG 13 14.994 3.716 14.435
69 HG2 ARG 13 HG2 ARG 13 14.123 1.394 14.281
70 HG3 ARG 13 HG3 ARG 13 15.310 1.084 13.011
71 HD2 ARG 13 HD2 ARG 13 17.065 1.858 14.682
72 HD3 ARG 13 HD3 ARG 13 15.799 1.743 15.903
73 HE ARG 13 HE ARG 13 16.051 -0.524 15.876
74 HH11 ARG 13 HH11 ARG 13 17.406 0.786 12.949
75 HH12 ARG 13 HH12 ARG 13 18.050 -0.731 12.414
76 HH21 ARG 13 HH21 ARG 13 16.894 -2.527 15.182
77 HH22 ARG 13 HH22 ARG 13 17.757 -2.615 13.685
78 HA PRO 14 HA PRO 14 13.009 4.529 14.898
79 HB2 PRO 14 HB2 PRO 14 10.921 6.175 15.445
80 HB3 PRO 14 HB3 PRO 14 12.588 6.561 15.886
81 HG2 PRO 14 HG2 PRO 14 10.979 7.512 13.547
82 HG3 PRO 14 HG3 PRO 14 12.065 8.431 14.606
83 HD2 PRO 14 HD2 PRO 14 12.812 7.565 12.152
84 HD3 PRO 14 HD3 PRO 14 13.956 7.711 13.502
85 H ASN 15 H ASN 15 11.980 4.404 11.884
86 HA ASN 15 HA ASN 15 9.235 3.588 12.292
87 HB2 ASN 15 HB2 ASN 15 10.768 3.104 9.758
88 HB3 ASN 15 HB3 ASN 15 9.058 3.467 9.968
89 HD21 ASN 15 HD21 ASN 15 11.038 4.733 8.250
90 HD22 ASN 15 HD22 ASN 15 11.055 6.404 8.689
91 H TYR 16 H TYR 16 8.428 1.511 12.141
92 HA TYR 16 HA TYR 16 10.313 -0.697 11.822
93 HB2 TYR 16 HB2 TYR 16 9.752 -1.757 13.868
94 HB3 TYR 16 HB3 TYR 16 10.103 -0.083 14.280
95 HD1 TYR 16 HD1 TYR 16 8.154 1.501 14.639
96 HD2 TYR 16 HD2 TYR 16 7.671 -2.719 14.394
97 HE1 TYR 16 HE1 TYR 16 5.962 1.695 15.736
98 HE2 TYR 16 HE2 TYR 16 5.477 -2.537 15.490
99 HH TYR 16 HH TYR 16 4.264 0.573 16.668
100 H CYS 17 H CYS 17 8.860 -2.842 12.239
101 HA CYS 17 HA CYS 17 6.804 -2.672 10.197
102 HB2 CYS 17 HB2 CYS 17 8.408 -4.828 11.445
103 HB3 CYS 17 HB3 CYS 17 6.791 -5.276 10.910
104 H GLU 18 H GLU 18 4.664 -2.785 10.526
105 HA GLU 18 HA GLU 18 3.617 -3.759 13.062
106 HB2 GLU 18 HB2 GLU 18 4.094 -1.192 13.106
107 HB3 GLU 18 HB3 GLU 18 2.652 -1.086 12.106
108 HG2 GLU 18 HG2 GLU 18 2.429 -0.820 14.654
109 HG3 GLU 18 HG3 GLU 18 1.262 -1.824 13.794
110 H GLY 19 H GLY 19 2.082 -5.157 12.528
111 HA2 GLY 19 HA2 GLY 19 0.818 -5.090 9.943
112 HA3 GLY 19 HA3 GLY 19 0.527 -6.264 11.218
113 H ALA 20 H ALA 20 0.060 -3.864 13.066
114 HA ALA 20 HA ALA 20 -2.632 -3.159 12.102
115 HB1 ALA 20 HB1 ALA 20 -2.501 -3.325 14.985
116 HB2 ALA 20 HB2 ALA 20 -3.632 -4.081 13.862
117 HB3 ALA 20 HB3 ALA 20 -2.094 -4.865 14.227
118 H ARG 21 H ARG 21 -3.286 -1.643 14.429
119 HA ARG 21 HA ARG 21 -2.193 0.854 13.721
120 HB2 ARG 21 HB2 ARG 21 -3.460 0.311 16.391
121 HB3 ARG 21 HB3 ARG 21 -3.531 1.773 15.417
122 HG2 ARG 21 HG2 ARG 21 -4.654 -0.358 13.910
123 HG3 ARG 21 HG3 ARG 21 -5.374 -0.365 15.521
124 HD2 ARG 21 HD2 ARG 21 -6.170 1.829 15.296
125 HD3 ARG 21 HD3 ARG 21 -5.111 2.162 13.925
126 HE ARG 21 HE ARG 21 -6.767 0.118 13.114
127 HH11 ARG 21 HH11 ARG 21 -7.152 3.388 14.246
128 HH12 ARG 21 HH12 ARG 21 -8.605 3.668 13.344
129 HH21 ARG 21 HH21 ARG 21 -8.679 0.474 11.922
130 HH22 ARG 21 HH22 ARG 21 -9.473 2.009 12.023
131 H CYS 22 H CYS 22 -0.416 1.896 14.361
132 HA CYS 22 HA CYS 22 1.660 0.672 15.726
133 HB2 CYS 22 HB2 CYS 22 1.282 3.659 15.727
134 HB3 CYS 22 HB3 CYS 22 2.785 2.745 15.654
135 H GLU 23 H GLU 23 2.656 1.304 17.793
136 HA GLU 23 HA GLU 23 0.751 1.130 19.915
137 HB2 GLU 23 HB2 GLU 23 3.542 1.825 20.587
138 HB3 GLU 23 HB3 GLU 23 2.510 0.555 21.229
139 HG2 GLU 23 HG2 GLU 23 2.864 -0.645 19.024
140 HG3 GLU 23 HG3 GLU 23 4.142 0.528 18.713
141 H SER 24 H SER 24 0.717 2.596 21.780
142 HA SER 24 HA SER 24 0.093 5.213 21.065
143 HB2 SER 24 HB2 SER 24 0.528 3.777 23.635
144 HB3 SER 24 HB3 SER 24 0.545 5.539 23.686
145 HG SER 24 HG SER 24 -1.551 5.120 23.889
146 H GLY 25 H GLY 25 1.898 5.906 19.780
147 HA2 GLY 25 HA2 GLY 25 3.558 7.753 20.889
148 HA3 GLY 25 HA3 GLY 25 4.479 6.261 21.009
149 H PHE 26 H PHE 26 3.545 5.087 18.578
150 HA PHE 26 HA PHE 26 5.131 6.673 16.704
151 HB2 PHE 26 HB2 PHE 26 4.172 3.808 16.572
152 HB3 PHE 26 HB3 PHE 26 5.145 4.594 15.333
153 HD1 PHE 26 HD1 PHE 26 5.259 4.270 19.053
154 HD2 PHE 26 HD2 PHE 26 7.349 3.993 15.356
155 HE1 PHE 26 HE1 PHE 26 7.305 3.629 20.261
156 HE2 PHE 26 HE2 PHE 26 9.397 3.350 16.557
157 HZ PHE 26 HZ PHE 26 9.377 3.166 19.013
158 H HIS 27 H HIS 27 4.331 6.186 14.294
159 HA HIS 27 HA HIS 27 1.429 6.576 14.140
160 HB2 HIS 27 HB2 HIS 27 2.058 8.337 12.286
161 HB3 HIS 27 HB3 HIS 27 1.991 8.809 13.981
162 HD1 HIS 27 HD1 HIS 27 4.167 9.528 15.090
163 HD2 HIS 27 HD2 HIS 27 4.675 8.160 11.200
164 HE1 HIS 27 HE1 HIS 27 6.527 10.133 14.467
165 H ASP 28 H ASP 28 0.499 5.477 12.526
166 HA ASP 28 HA ASP 28 1.927 3.592 11.023
167 HB2 ASP 28 HB2 ASP 28 -0.362 3.141 11.423
168 HB3 ASP 28 HB3 ASP 28 -0.864 4.699 10.772
169 H CYS 29 H CYS 29 3.304 3.977 9.429
170 HA CYS 29 HA CYS 29 2.702 6.168 7.550
171 HB2 CYS 29 HB2 CYS 29 5.245 6.131 7.159
172 HB3 CYS 29 HB3 CYS 29 4.658 6.849 8.656
173 H GLY 30 H GLY 30 1.959 3.272 7.498
174 HA2 GLY 30 HA2 GLY 30 3.485 1.790 5.711
175 HA3 GLY 30 HA3 GLY 30 1.744 1.640 5.899
176 H SER 31 H SER 31 1.878 4.699 5.112
177 HA SER 31 HA SER 31 0.818 4.548 2.610
178 HB2 SER 31 HB2 SER 31 0.875 6.626 3.904
179 HB3 SER 31 HB3 SER 31 2.617 6.748 3.657
180 HG SER 31 HG SER 31 1.185 7.987 2.190
181 H ASP 32 H ASP 32 4.169 5.671 3.042
182 HA ASP 32 HA ASP 32 4.830 4.393 0.475
183 HB2 ASP 32 HB2 ASP 32 6.867 6.013 0.669
184 HB3 ASP 32 HB3 ASP 32 5.299 6.650 0.181
185 H HIS 33 H HIS 33 4.767 3.029 3.054
186 HA HIS 33 HA HIS 33 7.463 1.939 2.969
187 HB2 HIS 33 HB2 HIS 33 6.231 2.823 5.585
188 HB3 HIS 33 HB3 HIS 33 7.812 2.079 5.363
189 HD1 HIS 33 HD1 HIS 33 6.469 5.224 6.056
190 HD2 HIS 33 HD2 HIS 33 9.351 3.897 3.374
191 HE1 HIS 33 HE1 HIS 33 7.834 7.255 5.475
192 H TRP 34 H TRP 34 7.288 -0.190 2.833
193 HA TRP 34 HA TRP 34 4.955 -1.490 4.082
194 HB2 TRP 34 HB2 TRP 34 5.585 -3.298 2.236
195 HB3 TRP 34 HB3 TRP 34 4.535 -1.931 1.873
196 HD1 TRP 34 HD1 TRP 34 5.152 -0.768 -0.310
197 HE1 TRP 34 HE1 TRP 34 7.300 -0.420 -1.684
198 HE3 TRP 34 HE3 TRP 34 8.476 -3.138 2.767
199 HZ2 TRP 34 HZ2 TRP 34 10.041 -1.066 -1.489
200 HZ3 TRP 34 HZ3 TRP 34 10.843 -3.229 2.100
201 HH2 TRP 34 HH2 TRP 34 11.607 -2.214 0.015
202 H CYS 35 H CYS 35 5.381 -3.907 4.455
203 HA CYS 35 HA CYS 35 8.004 -4.154 5.761
204 HB2 CYS 35 HB2 CYS 35 5.286 -5.247 6.372
205 HB3 CYS 35 HB3 CYS 35 6.706 -6.139 6.909
206 H ASP 36 H ASP 36 8.721 -6.532 5.960
207 HA ASP 36 HA ASP 36 9.494 -7.501 3.515
208 HB2 ASP 36 HB2 ASP 36 9.242 -8.724 6.223
209 HB3 ASP 36 HB3 ASP 36 9.555 -9.795 4.859
210 H ALA 37 H ALA 37 6.580 -8.310 5.335
211 HA ALA 37 HA ALA 37 5.704 -10.126 3.224
212 HB1 ALA 37 HB1 ALA 37 4.402 -11.125 4.760
213 HB2 ALA 37 HB2 ALA 37 5.442 -10.290 5.913
214 HB3 ALA 37 HB3 ALA 37 3.884 -9.595 5.468
215 H SER 38 H SER 38 4.403 -9.497 1.638
216 HA SER 38 HA SER 38 3.532 -6.861 1.305
217 HB2 SER 38 HB2 SER 38 2.117 -7.800 -0.544
218 HB3 SER 38 HB3 SER 38 3.809 -8.290 -0.617
219 HG SER 38 HG SER 38 2.009 -9.923 0.765
220 H GLY 39 H GLY 39 2.520 -6.434 3.381
221 HA2 GLY 39 HA2 GLY 39 -0.225 -6.249 3.302
222 HA3 GLY 39 HA3 GLY 39 0.103 -7.763 4.131
223 H ASP 40 H ASP 40 2.663 -6.493 5.174
224 HA ASP 40 HA ASP 40 1.427 -5.330 7.539
225 HB2 ASP 40 HB2 ASP 40 4.047 -6.573 6.899
226 HB3 ASP 40 HB3 ASP 40 4.040 -5.341 8.157
227 H ARG 41 H ARG 41 1.505 -3.235 8.087
228 HA ARG 41 HA ARG 41 2.791 -1.394 6.217
229 HB2 ARG 41 HB2 ARG 41 1.441 0.163 8.042
230 HB3 ARG 41 HB3 ARG 41 0.811 -0.375 6.490
231 HG2 ARG 41 HG2 ARG 41 -0.329 -2.204 7.496
232 HG3 ARG 41 HG3 ARG 41 0.472 -1.926 9.044
233 HD2 ARG 41 HD2 ARG 41 -1.413 -0.810 9.549
234 HD3 ARG 41 HD3 ARG 41 -0.671 0.491 8.620
235 HE ARG 41 HE ARG 41 -2.922 -1.149 7.838
236 HH11 ARG 41 HH11 ARG 41 -0.428 1.057 6.819
237 HH12 ARG 41 HH12 ARG 41 -1.259 1.533 5.375
238 HH21 ARG 41 HH21 ARG 41 -4.025 -0.530 5.940
239 HH22 ARG 41 HH22 ARG 41 -3.305 0.631 4.877
240 H CYS 42 H CYS 42 4.523 -0.192 6.714
241 HA CYS 42 HA CYS 42 5.886 -0.686 9.204
242 HB2 CYS 42 HB2 CYS 42 6.535 0.623 6.619
243 HB3 CYS 42 HB3 CYS 42 7.421 1.184 8.034
244 H CYS 43 H CYS 43 5.876 0.549 10.968
245 HA CYS 43 HA CYS 43 4.374 3.054 10.899
246 HB2 CYS 43 HB2 CYS 43 5.232 1.190 13.094
247 HB3 CYS 43 HB3 CYS 43 4.716 2.832 13.464
248 H CYS 44 H CYS 44 5.192 4.907 12.152
249 HA CYS 44 HA CYS 44 8.120 5.043 12.290
250 HB2 CYS 44 HB2 CYS 44 6.365 7.129 10.976
251 HB3 CYS 44 HB3 CYS 44 8.106 7.247 11.207
252 H ALA 45 H ALA 45 8.849 5.981 14.092
253 HA ALA 45 HA ALA 45 6.964 6.934 16.047
254 HB1 ALA 45 HB1 ALA 45 9.270 5.606 16.294
255 HB2 ALA 45 HB2 ALA 45 9.865 7.250 16.526
256 HB3 ALA 45 HB3 ALA 45 8.602 6.613 17.579
Start of MODEL 5
1 H CYS 1 H CYS 1 1.397 -0.351 0.468
2 HA CYS 1 HA CYS 1 1.392 0.087 -2.445
3 HB2 CYS 1 HB2 CYS 1 3.845 0.811 -2.056
4 HB3 CYS 1 HB3 CYS 1 2.565 1.958 -1.676
5 H TYR 2 H TYR 2 2.909 -1.158 -3.653
6 HA TYR 2 HA TYR 2 3.329 -3.787 -2.519
7 HB2 TYR 2 HB2 TYR 2 2.911 -2.732 -5.123
8 HB3 TYR 2 HB3 TYR 2 4.473 -3.543 -5.129
9 HD1 TYR 2 HD1 TYR 2 1.299 -4.350 -3.336
10 HD2 TYR 2 HD2 TYR 2 4.190 -5.573 -6.208
11 HE1 TYR 2 HE1 TYR 2 0.163 -6.521 -3.546
12 HE2 TYR 2 HE2 TYR 2 3.062 -7.748 -6.426
13 HH TYR 2 HH TYR 2 0.632 -8.784 -4.250
14 HA PRO 3 HA PRO 3 7.600 -3.473 -1.565
15 HB2 PRO 3 HB2 PRO 3 8.518 -5.922 -2.296
16 HB3 PRO 3 HB3 PRO 3 7.498 -5.663 -0.876
17 HG2 PRO 3 HG2 PRO 3 6.735 -6.624 -3.607
18 HG3 PRO 3 HG3 PRO 3 6.209 -7.222 -2.023
19 HD2 PRO 3 HD2 PRO 3 4.685 -5.574 -3.537
20 HD3 PRO 3 HD3 PRO 3 4.656 -5.539 -1.762
21 H GLY 4 H GLY 4 8.003 -1.842 -3.233
22 HA2 GLY 4 HA2 GLY 4 10.094 -1.642 -4.621
23 HA3 GLY 4 HA3 GLY 4 9.417 -2.951 -5.578
24 H GLN 5 H GLN 5 7.049 -0.825 -4.439
25 HA GLN 5 HA GLN 5 6.478 0.095 -7.092
26 HB2 GLN 5 HB2 GLN 5 5.225 0.785 -4.430
27 HB3 GLN 5 HB3 GLN 5 4.608 1.317 -5.988
28 HG2 GLN 5 HG2 GLN 5 4.707 -1.314 -6.443
29 HG3 GLN 5 HG3 GLN 5 4.474 -1.331 -4.696
30 HE21 GLN 5 HE21 GLN 5 2.935 -1.303 -7.609
31 HE22 GLN 5 HE22 GLN 5 1.385 -0.728 -7.107
32 HA PRO 6 HA PRO 6 8.564 3.955 -7.138
33 HB2 PRO 6 HB2 PRO 6 6.831 5.483 -8.565
34 HB3 PRO 6 HB3 PRO 6 7.810 4.205 -9.294
35 HG2 PRO 6 HG2 PRO 6 4.942 4.139 -8.439
36 HG3 PRO 6 HG3 PRO 6 5.685 3.491 -9.913
37 HD2 PRO 6 HD2 PRO 6 5.060 1.931 -7.789
38 HD3 PRO 6 HD3 PRO 6 6.446 1.594 -8.845
39 H GLY 7 H GLY 7 8.324 4.286 -4.809
40 HA2 GLY 7 HA2 GLY 7 7.839 6.580 -3.766
41 HA3 GLY 7 HA3 GLY 7 6.165 6.159 -4.094
42 H CYS 8 H CYS 8 7.758 3.356 -3.370
43 HA CYS 8 HA CYS 8 7.317 3.617 -0.478
44 HB2 CYS 8 HB2 CYS 8 5.410 2.466 -1.890
45 HB3 CYS 8 HB3 CYS 8 6.505 1.088 -1.853
46 H GLY 9 H GLY 9 8.502 2.140 0.825
47 HA2 GLY 9 HA2 GLY 9 10.338 0.277 -0.363
48 HA3 GLY 9 HA3 GLY 9 11.130 1.744 0.193
49 H HIS 10 H HIS 10 12.145 -0.220 1.430
50 HA HIS 10 HA HIS 10 10.710 -1.297 3.626
51 HB2 HIS 10 HB2 HIS 10 12.850 -2.132 4.393
52 HB3 HIS 10 HB3 HIS 10 12.745 -2.338 2.647
53 HD1 HIS 10 HD1 HIS 10 14.808 -0.847 5.271
54 HD2 HIS 10 HD2 HIS 10 14.317 -0.390 1.171
55 HE1 HIS 10 HE1 HIS 10 16.842 0.406 4.486
56 H CYS 11 H CYS 11 10.113 -0.325 5.438
57 HA CYS 11 HA CYS 11 10.805 2.334 6.068
58 HB2 CYS 11 HB2 CYS 11 9.624 1.907 8.207
59 HB3 CYS 11 HB3 CYS 11 8.696 1.385 6.804
60 H SER 12 H SER 12 11.817 3.062 8.098
61 HA SER 12 HA SER 12 13.758 1.253 9.288
62 HB2 SER 12 HB2 SER 12 14.493 3.030 7.193
63 HB3 SER 12 HB3 SER 12 15.180 3.663 8.689
64 HG SER 12 HG SER 12 16.534 2.120 7.604
65 H ARG 13 H ARG 13 14.524 1.934 11.299
66 HA ARG 13 HA ARG 13 12.883 3.203 13.018
67 HB2 ARG 13 HB2 ARG 13 15.882 3.032 12.985
68 HB3 ARG 13 HB3 ARG 13 15.045 3.862 14.290
69 HG2 ARG 13 HG2 ARG 13 13.694 1.486 14.146
70 HG3 ARG 13 HG3 ARG 13 15.353 1.012 13.773
71 HD2 ARG 13 HD2 ARG 13 15.867 2.583 15.845
72 HD3 ARG 13 HD3 ARG 13 14.209 2.155 16.266
73 HE ARG 13 HE ARG 13 15.586 -0.192 15.624
74 HH11 ARG 13 HH11 ARG 13 15.585 2.294 18.062
75 HH12 ARG 13 HH12 ARG 13 16.178 1.251 19.311
76 HH21 ARG 13 HH21 ARG 13 16.367 -1.575 17.261
77 HH22 ARG 13 HH22 ARG 13 16.624 -0.949 18.855
78 HA PRO 14 HA PRO 14 12.851 4.512 14.861
79 HB2 PRO 14 HB2 PRO 14 10.760 6.175 15.344
80 HB3 PRO 14 HB3 PRO 14 12.422 6.560 15.810
81 HG2 PRO 14 HG2 PRO 14 10.860 7.483 13.428
82 HG3 PRO 14 HG3 PRO 14 11.930 8.413 14.493
83 HD2 PRO 14 HD2 PRO 14 12.718 7.508 12.066
84 HD3 PRO 14 HD3 PRO 14 13.837 7.669 13.435
85 H ASN 15 H ASN 15 11.883 4.338 11.832
86 HA ASN 15 HA ASN 15 9.124 3.550 12.194
87 HB2 ASN 15 HB2 ASN 15 10.715 3.001 9.709
88 HB3 ASN 15 HB3 ASN 15 9.002 3.374 9.868
89 HD21 ASN 15 HD21 ASN 15 10.938 4.606 8.135
90 HD22 ASN 15 HD22 ASN 15 10.985 6.282 8.552
91 H TYR 16 H TYR 16 8.303 1.477 12.074
92 HA TYR 16 HA TYR 16 10.178 -0.753 11.849
93 HB2 TYR 16 HB2 TYR 16 9.485 -1.783 13.898
94 HB3 TYR 16 HB3 TYR 16 9.961 -0.132 14.277
95 HD1 TYR 16 HD1 TYR 16 8.105 1.614 14.508
96 HD2 TYR 16 HD2 TYR 16 7.365 -2.576 14.496
97 HE1 TYR 16 HE1 TYR 16 5.925 2.002 15.579
98 HE2 TYR 16 HE2 TYR 16 5.183 -2.199 15.565
99 HH TYR 16 HH TYR 16 3.836 -0.702 16.524
100 H CYS 17 H CYS 17 8.597 -2.848 12.411
101 HA CYS 17 HA CYS 17 6.621 -2.716 10.271
102 HB2 CYS 17 HB2 CYS 17 8.203 -4.850 11.572
103 HB3 CYS 17 HB3 CYS 17 6.580 -5.308 11.065
104 H GLU 18 H GLU 18 4.466 -2.888 10.552
105 HA GLU 18 HA GLU 18 3.397 -3.721 13.132
106 HB2 GLU 18 HB2 GLU 18 3.790 -1.178 13.082
107 HB3 GLU 18 HB3 GLU 18 2.462 -1.125 11.932
108 HG2 GLU 18 HG2 GLU 18 2.090 -0.801 14.525
109 HG3 GLU 18 HG3 GLU 18 0.896 -1.594 13.499
110 H GLY 19 H GLY 19 2.203 -5.389 12.415
111 HA2 GLY 19 HA2 GLY 19 0.637 -5.110 9.966
112 HA3 GLY 19 HA3 GLY 19 0.885 -6.591 10.879
113 H ALA 20 H ALA 20 0.116 -4.146 12.999
114 HA ALA 20 HA ALA 20 -2.763 -4.756 12.851
115 HB1 ALA 20 HB1 ALA 20 -2.719 -4.605 15.389
116 HB2 ALA 20 HB2 ALA 20 -2.012 -6.049 14.665
117 HB3 ALA 20 HB3 ALA 20 -0.967 -4.759 15.260
118 H ARG 21 H ARG 21 -0.751 -2.671 14.921
119 HA ARG 21 HA ARG 21 -1.685 -0.258 13.699
120 HB2 ARG 21 HB2 ARG 21 -3.325 -1.399 15.703
121 HB3 ARG 21 HB3 ARG 21 -2.530 -0.008 16.427
122 HG2 ARG 21 HG2 ARG 21 -3.389 1.445 14.725
123 HG3 ARG 21 HG3 ARG 21 -4.047 0.073 13.830
124 HD2 ARG 21 HD2 ARG 21 -5.950 0.394 14.939
125 HD3 ARG 21 HD3 ARG 21 -5.115 -0.186 16.379
126 HE ARG 21 HE ARG 21 -5.322 1.921 17.202
127 HH11 ARG 21 HH11 ARG 21 -5.188 2.123 13.729
128 HH12 ARG 21 HH12 ARG 21 -5.355 3.847 13.692
129 HH21 ARG 21 HH21 ARG 21 -5.542 4.191 17.167
130 HH22 ARG 21 HH22 ARG 21 -5.555 5.022 15.649
131 H CYS 22 H CYS 22 -0.502 1.528 14.327
132 HA CYS 22 HA CYS 22 2.054 1.127 15.342
133 HB2 CYS 22 HB2 CYS 22 0.495 3.720 15.372
134 HB3 CYS 22 HB3 CYS 22 2.247 3.551 15.426
135 H GLU 23 H GLU 23 3.016 1.413 17.322
136 HA GLU 23 HA GLU 23 1.392 0.961 19.616
137 HB2 GLU 23 HB2 GLU 23 4.334 1.575 19.316
138 HB3 GLU 23 HB3 GLU 23 3.571 1.208 20.857
139 HG2 GLU 23 HG2 GLU 23 2.748 -0.887 19.332
140 HG3 GLU 23 HG3 GLU 23 4.350 -0.568 18.669
141 H SER 24 H SER 24 1.600 2.299 21.622
142 HA SER 24 HA SER 24 0.570 4.853 21.224
143 HB2 SER 24 HB2 SER 24 1.519 3.281 23.526
144 HB3 SER 24 HB3 SER 24 1.608 5.028 23.750
145 HG SER 24 HG SER 24 -0.421 4.182 24.387
146 H GLY 25 H GLY 25 1.845 6.064 19.829
147 HA2 GLY 25 HA2 GLY 25 3.398 8.025 20.451
148 HA3 GLY 25 HA3 GLY 25 4.555 6.739 20.762
149 H PHE 26 H PHE 26 3.359 5.191 18.461
150 HA PHE 26 HA PHE 26 4.970 6.483 16.396
151 HB2 PHE 26 HB2 PHE 26 3.794 3.704 16.590
152 HB3 PHE 26 HB3 PHE 26 4.711 4.291 15.206
153 HD1 PHE 26 HD1 PHE 26 4.934 3.635 18.844
154 HD2 PHE 26 HD2 PHE 26 7.045 4.216 15.194
155 HE1 PHE 26 HE1 PHE 26 7.025 2.958 19.950
156 HE2 PHE 26 HE2 PHE 26 9.139 3.539 16.294
157 HZ PHE 26 HZ PHE 26 9.132 2.909 18.675
158 H HIS 27 H HIS 27 4.161 6.390 14.131
159 HA HIS 27 HA HIS 27 1.243 6.753 13.995
160 HB2 HIS 27 HB2 HIS 27 1.882 8.495 12.149
161 HB3 HIS 27 HB3 HIS 27 1.926 8.963 13.846
162 HD1 HIS 27 HD1 HIS 27 4.150 9.684 14.795
163 HD2 HIS 27 HD2 HIS 27 4.467 8.071 10.979
164 HE1 HIS 27 HE1 HIS 27 6.513 10.142 14.066
165 H ASP 28 H ASP 28 0.221 5.986 12.184
166 HA ASP 28 HA ASP 28 1.469 3.893 10.761
167 HB2 ASP 28 HB2 ASP 28 -0.848 3.667 10.989
168 HB3 ASP 28 HB3 ASP 28 -1.155 5.327 10.488
169 H CYS 29 H CYS 29 2.944 4.098 9.223
170 HA CYS 29 HA CYS 29 2.649 6.288 7.276
171 HB2 CYS 29 HB2 CYS 29 5.145 6.351 7.140
172 HB3 CYS 29 HB3 CYS 29 4.505 6.868 8.696
173 H GLY 30 H GLY 30 1.895 3.362 7.325
174 HA2 GLY 30 HA2 GLY 30 3.567 1.850 5.678
175 HA3 GLY 30 HA3 GLY 30 1.829 1.631 5.822
176 H SER 31 H SER 31 1.921 4.674 4.896
177 HA SER 31 HA SER 31 0.920 4.366 2.376
178 HB2 SER 31 HB2 SER 31 2.205 6.590 3.837
179 HB3 SER 31 HB3 SER 31 2.176 6.758 2.081
180 HG SER 31 HG SER 31 -0.020 6.673 2.105
181 H ASP 32 H ASP 32 4.257 5.498 2.930
182 HA ASP 32 HA ASP 32 5.010 4.228 0.385
183 HB2 ASP 32 HB2 ASP 32 7.046 5.813 0.636
184 HB3 ASP 32 HB3 ASP 32 5.497 6.501 0.155
185 H HIS 33 H HIS 33 4.823 2.904 3.011
186 HA HIS 33 HA HIS 33 7.486 1.731 3.003
187 HB2 HIS 33 HB2 HIS 33 6.226 2.672 5.584
188 HB3 HIS 33 HB3 HIS 33 7.803 1.914 5.390
189 HD1 HIS 33 HD1 HIS 33 6.501 5.068 6.066
190 HD2 HIS 33 HD2 HIS 33 9.357 3.709 3.373
191 HE1 HIS 33 HE1 HIS 33 7.882 7.085 5.477
192 H TRP 34 H TRP 34 7.249 -0.394 2.893
193 HA TRP 34 HA TRP 34 4.859 -1.605 4.124
194 HB2 TRP 34 HB2 TRP 34 5.463 -3.452 2.300
195 HB3 TRP 34 HB3 TRP 34 4.443 -2.067 1.921
196 HD1 TRP 34 HD1 TRP 34 5.099 -0.911 -0.255
197 HE1 TRP 34 HE1 TRP 34 7.259 -0.626 -1.625
198 HE3 TRP 34 HE3 TRP 34 8.346 -3.380 2.826
199 HZ2 TRP 34 HZ2 TRP 34 9.979 -1.353 -1.427
200 HZ3 TRP 34 HZ3 TRP 34 10.710 -3.541 2.162
201 HH2 TRP 34 HH2 TRP 34 11.508 -2.549 0.079
202 H CYS 35 H CYS 35 5.182 -3.993 4.598
203 HA CYS 35 HA CYS 35 7.792 -4.320 5.906
204 HB2 CYS 35 HB2 CYS 35 5.033 -5.308 6.509
205 HB3 CYS 35 HB3 CYS 35 6.415 -6.243 7.070
206 H ASP 36 H ASP 36 8.524 -6.651 6.099
207 HA ASP 36 HA ASP 36 9.235 -7.698 3.682
208 HB2 ASP 36 HB2 ASP 36 8.989 -8.861 6.416
209 HB3 ASP 36 HB3 ASP 36 9.268 -9.966 5.073
210 H ALA 37 H ALA 37 6.322 -8.416 5.538
211 HA ALA 37 HA ALA 37 5.400 -10.267 3.477
212 HB1 ALA 37 HB1 ALA 37 5.162 -10.394 6.155
213 HB2 ALA 37 HB2 ALA 37 3.628 -9.626 5.743
214 HB3 ALA 37 HB3 ALA 37 4.052 -11.185 5.035
215 H SER 38 H SER 38 4.156 -9.618 1.858
216 HA SER 38 HA SER 38 3.308 -6.983 1.487
217 HB2 SER 38 HB2 SER 38 1.851 -7.973 -0.337
218 HB3 SER 38 HB3 SER 38 3.564 -8.382 -0.433
219 HG SER 38 HG SER 38 1.381 -9.992 0.292
220 H GLY 39 H GLY 39 2.291 -6.528 3.560
221 HA2 GLY 39 HA2 GLY 39 -0.459 -6.323 3.448
222 HA3 GLY 39 HA3 GLY 39 -0.139 -7.814 4.322
223 H ASP 40 H ASP 40 2.413 -6.542 5.356
224 HA ASP 40 HA ASP 40 1.168 -5.297 7.672
225 HB2 ASP 40 HB2 ASP 40 3.778 -6.586 7.091
226 HB3 ASP 40 HB3 ASP 40 3.782 -5.310 8.305
227 H ARG 41 H ARG 41 1.259 -3.189 8.162
228 HA ARG 41 HA ARG 41 2.565 -1.410 6.248
229 HB2 ARG 41 HB2 ARG 41 1.236 0.222 8.001
230 HB3 ARG 41 HB3 ARG 41 0.575 -0.395 6.493
231 HG2 ARG 41 HG2 ARG 41 -0.541 -2.174 7.625
232 HG3 ARG 41 HG3 ARG 41 0.275 -1.788 9.141
233 HD2 ARG 41 HD2 ARG 41 -1.570 -0.610 9.612
234 HD3 ARG 41 HD3 ARG 41 -0.900 0.592 8.509
235 HE ARG 41 HE ARG 41 -3.146 -1.168 8.022
236 HH11 ARG 41 HH11 ARG 41 -0.761 0.968 6.654
237 HH12 ARG 41 HH12 ARG 41 -1.670 1.270 5.210
238 HH21 ARG 41 HH21 ARG 41 -4.352 -0.778 6.125
239 HH22 ARG 41 HH22 ARG 41 -3.712 0.277 4.911
240 H CYS 42 H CYS 42 4.257 -0.128 6.729
241 HA CYS 42 HA CYS 42 5.668 -0.612 9.194
242 HB2 CYS 42 HB2 CYS 42 6.253 0.915 6.678
243 HB3 CYS 42 HB3 CYS 42 7.248 1.165 8.109
244 H CYS 43 H CYS 43 5.655 0.607 10.969
245 HA CYS 43 HA CYS 43 4.199 3.155 10.883
246 HB2 CYS 43 HB2 CYS 43 4.721 1.140 13.043
247 HB3 CYS 43 HB3 CYS 43 4.328 2.802 13.470
248 H CYS 44 H CYS 44 5.133 5.051 11.441
249 HA CYS 44 HA CYS 44 7.998 4.968 12.119
250 HB2 CYS 44 HB2 CYS 44 6.492 7.224 10.783
251 HB3 CYS 44 HB3 CYS 44 8.233 7.106 11.013
252 H ALA 45 H ALA 45 8.714 5.974 13.910
253 HA ALA 45 HA ALA 45 6.775 6.916 15.815
254 HB1 ALA 45 HB1 ALA 45 9.081 5.612 16.127
255 HB2 ALA 45 HB2 ALA 45 9.665 7.262 16.350
256 HB3 ALA 45 HB3 ALA 45 8.385 6.632 17.386
Start of MODEL 6
1 H CYS 1 H CYS 1 1.439 0.705 0.455
2 HA CYS 1 HA CYS 1 1.474 0.098 -2.317
3 HB2 CYS 1 HB2 CYS 1 3.963 0.773 -2.038
4 HB3 CYS 1 HB3 CYS 1 2.721 1.988 -1.754
5 H TYR 2 H TYR 2 2.888 -1.303 -3.457
6 HA TYR 2 HA TYR 2 3.302 -3.825 -2.097
7 HB2 TYR 2 HB2 TYR 2 2.788 -3.004 -4.774
8 HB3 TYR 2 HB3 TYR 2 4.313 -3.883 -4.765
9 HD1 TYR 2 HD1 TYR 2 1.353 -4.448 -2.590
10 HD2 TYR 2 HD2 TYR 2 3.738 -5.909 -5.796
11 HE1 TYR 2 HE1 TYR 2 0.120 -6.575 -2.530
12 HE2 TYR 2 HE2 TYR 2 2.511 -8.040 -5.745
13 HH TYR 2 HH TYR 2 0.046 -8.683 -3.290
14 HA PRO 3 HA PRO 3 7.625 -3.552 -1.403
15 HB2 PRO 3 HB2 PRO 3 8.452 -6.074 -1.972
16 HB3 PRO 3 HB3 PRO 3 7.515 -5.673 -0.528
17 HG2 PRO 3 HG2 PRO 3 6.588 -6.837 -3.126
18 HG3 PRO 3 HG3 PRO 3 6.135 -7.289 -1.472
19 HD2 PRO 3 HD2 PRO 3 4.566 -5.734 -3.039
20 HD3 PRO 3 HD3 PRO 3 4.633 -5.552 -1.274
21 H GLY 4 H GLY 4 7.877 -2.076 -3.278
22 HA2 GLY 4 HA2 GLY 4 9.971 -2.145 -4.768
23 HA3 GLY 4 HA3 GLY 4 9.074 -3.390 -5.626
24 H GLN 5 H GLN 5 6.856 -1.229 -4.498
25 HA GLN 5 HA GLN 5 6.387 -0.158 -7.114
26 HB2 GLN 5 HB2 GLN 5 5.056 0.451 -4.469
27 HB3 GLN 5 HB3 GLN 5 4.484 1.004 -6.037
28 HG2 GLN 5 HG2 GLN 5 4.462 -1.520 -6.631
29 HG3 GLN 5 HG3 GLN 5 4.472 -1.746 -4.883
30 HE21 GLN 5 HE21 GLN 5 2.474 -1.923 -7.292
31 HE22 GLN 5 HE22 GLN 5 1.029 -1.259 -6.616
32 HA PRO 6 HA PRO 6 8.525 3.667 -6.883
33 HB2 PRO 6 HB2 PRO 6 6.859 5.298 -8.274
34 HB3 PRO 6 HB3 PRO 6 7.842 4.046 -9.043
35 HG2 PRO 6 HG2 PRO 6 4.948 3.979 -8.280
36 HG3 PRO 6 HG3 PRO 6 5.727 3.401 -9.764
37 HD2 PRO 6 HD2 PRO 6 5.014 1.737 -7.750
38 HD3 PRO 6 HD3 PRO 6 6.428 1.437 -8.781
39 H GLY 7 H GLY 7 8.717 4.806 -5.058
40 HA2 GLY 7 HA2 GLY 7 8.063 6.727 -3.784
41 HA3 GLY 7 HA3 GLY 7 6.384 6.337 -4.125
42 H CYS 8 H CYS 8 7.931 3.504 -3.411
43 HA CYS 8 HA CYS 8 7.464 3.750 -0.521
44 HB2 CYS 8 HB2 CYS 8 5.540 2.654 -1.902
45 HB3 CYS 8 HB3 CYS 8 6.622 1.268 -1.982
46 H GLY 9 H GLY 9 8.561 2.157 0.772
47 HA2 GLY 9 HA2 GLY 9 10.407 0.315 -0.403
48 HA3 GLY 9 HA3 GLY 9 11.216 1.767 0.168
49 H HIS 10 H HIS 10 12.188 -0.220 1.402
50 HA HIS 10 HA HIS 10 10.714 -1.279 3.584
51 HB2 HIS 10 HB2 HIS 10 13.072 -1.851 4.442
52 HB3 HIS 10 HB3 HIS 10 12.559 -2.570 2.919
53 HD1 HIS 10 HD1 HIS 10 13.788 -1.836 0.789
54 HD2 HIS 10 HD2 HIS 10 15.119 0.071 4.232
55 HE1 HIS 10 HE1 HIS 10 15.925 -0.681 0.135
56 H CYS 11 H CYS 11 10.133 -0.304 5.399
57 HA CYS 11 HA CYS 11 10.875 2.336 6.045
58 HB2 CYS 11 HB2 CYS 11 9.564 2.061 8.032
59 HB3 CYS 11 HB3 CYS 11 8.749 1.188 6.738
60 H SER 12 H SER 12 11.826 2.983 8.176
61 HA SER 12 HA SER 12 13.739 1.155 9.346
62 HB2 SER 12 HB2 SER 12 15.228 1.799 7.683
63 HB3 SER 12 HB3 SER 12 14.553 3.424 7.565
64 HG SER 12 HG SER 12 16.015 2.448 9.793
65 H ARG 13 H ARG 13 14.562 1.866 11.337
66 HA ARG 13 HA ARG 13 12.946 3.198 13.041
67 HB2 ARG 13 HB2 ARG 13 15.969 3.233 13.089
68 HB3 ARG 13 HB3 ARG 13 14.936 3.648 14.450
69 HG2 ARG 13 HG2 ARG 13 14.047 1.145 13.636
70 HG3 ARG 13 HG3 ARG 13 15.806 1.063 13.516
71 HD2 ARG 13 HD2 ARG 13 16.098 1.558 15.783
72 HD3 ARG 13 HD3 ARG 13 14.458 2.185 15.948
73 HE ARG 13 HE ARG 13 14.006 -0.382 15.339
74 HH11 ARG 13 HH11 ARG 13 16.138 1.108 17.652
75 HH12 ARG 13 HH12 ARG 13 16.061 -0.213 18.770
76 HH21 ARG 13 HH21 ARG 13 13.897 -2.129 16.802
77 HH22 ARG 13 HH22 ARG 13 14.787 -2.055 18.284
78 HA PRO 14 HA PRO 14 12.959 4.539 14.865
79 HB2 PRO 14 HB2 PRO 14 10.916 6.265 15.329
80 HB3 PRO 14 HB3 PRO 14 12.589 6.613 15.782
81 HG2 PRO 14 HG2 PRO 14 11.043 7.538 13.392
82 HG3 PRO 14 HG3 PRO 14 12.142 8.456 14.437
83 HD2 PRO 14 HD2 PRO 14 12.895 7.491 12.022
84 HD3 PRO 14 HD3 PRO 14 14.024 7.644 13.384
85 H ASN 15 H ASN 15 11.966 4.354 11.840
86 HA ASN 15 HA ASN 15 9.192 3.634 12.236
87 HB2 ASN 15 HB2 ASN 15 10.739 3.028 9.736
88 HB3 ASN 15 HB3 ASN 15 9.039 3.453 9.914
89 HD21 ASN 15 HD21 ASN 15 11.070 4.602 8.181
90 HD22 ASN 15 HD22 ASN 15 11.142 6.284 8.572
91 H TYR 16 H TYR 16 8.322 1.573 12.088
92 HA TYR 16 HA TYR 16 10.155 -0.694 11.894
93 HB2 TYR 16 HB2 TYR 16 9.378 -1.712 13.935
94 HB3 TYR 16 HB3 TYR 16 9.957 -0.093 14.310
95 HD1 TYR 16 HD1 TYR 16 8.222 1.764 14.555
96 HD2 TYR 16 HD2 TYR 16 7.204 -2.367 14.517
97 HE1 TYR 16 HE1 TYR 16 6.070 2.290 15.623
98 HE2 TYR 16 HE2 TYR 16 5.049 -1.852 15.584
99 HH TYR 16 HH TYR 16 3.952 1.428 16.020
100 H CYS 17 H CYS 17 8.627 -2.786 12.315
101 HA CYS 17 HA CYS 17 6.651 -2.616 10.196
102 HB2 CYS 17 HB2 CYS 17 8.157 -4.776 11.548
103 HB3 CYS 17 HB3 CYS 17 6.542 -5.200 10.988
104 H GLU 18 H GLU 18 4.485 -2.786 10.428
105 HA GLU 18 HA GLU 18 3.358 -3.550 13.006
106 HB2 GLU 18 HB2 GLU 18 3.759 -1.018 12.917
107 HB3 GLU 18 HB3 GLU 18 2.479 -0.977 11.712
108 HG2 GLU 18 HG2 GLU 18 2.011 -0.598 14.285
109 HG3 GLU 18 HG3 GLU 18 0.846 -1.385 13.222
110 H GLY 19 H GLY 19 2.213 -5.253 12.274
111 HA2 GLY 19 HA2 GLY 19 0.678 -5.020 9.802
112 HA3 GLY 19 HA3 GLY 19 0.916 -6.483 10.747
113 H ALA 20 H ALA 20 0.094 -3.968 12.781
114 HA ALA 20 HA ALA 20 -2.785 -4.526 12.560
115 HB1 ALA 20 HB1 ALA 20 -2.903 -4.615 15.043
116 HB2 ALA 20 HB2 ALA 20 -2.007 -5.952 14.322
117 HB3 ALA 20 HB3 ALA 20 -1.140 -4.618 15.083
118 H ARG 21 H ARG 21 -0.857 -2.661 14.888
119 HA ARG 21 HA ARG 21 -1.657 -0.141 13.744
120 HB2 ARG 21 HB2 ARG 21 -3.342 -1.343 15.676
121 HB3 ARG 21 HB3 ARG 21 -2.509 -0.019 16.480
122 HG2 ARG 21 HG2 ARG 21 -3.718 1.518 15.421
123 HG3 ARG 21 HG3 ARG 21 -3.503 0.728 13.857
124 HD2 ARG 21 HD2 ARG 21 -5.758 0.478 14.107
125 HD3 ARG 21 HD3 ARG 21 -5.207 -1.002 14.891
126 HE ARG 21 HE ARG 21 -5.362 0.982 16.841
127 HH11 ARG 21 HH11 ARG 21 -7.486 -0.779 14.718
128 HH12 ARG 21 HH12 ARG 21 -8.847 -0.682 15.786
129 HH21 ARG 21 HH21 ARG 21 -7.146 1.116 18.256
130 HH22 ARG 21 HH22 ARG 21 -8.653 0.397 17.798
131 H CYS 22 H CYS 22 -0.433 1.575 14.484
132 HA CYS 22 HA CYS 22 2.080 0.959 15.610
133 HB2 CYS 22 HB2 CYS 22 0.824 3.701 15.438
134 HB3 CYS 22 HB3 CYS 22 2.540 3.313 15.488
135 H GLU 23 H GLU 23 3.004 1.860 17.581
136 HA GLU 23 HA GLU 23 1.301 1.377 19.834
137 HB2 GLU 23 HB2 GLU 23 4.090 2.517 19.923
138 HB3 GLU 23 HB3 GLU 23 3.256 1.599 21.169
139 HG2 GLU 23 HG2 GLU 23 3.409 0.064 18.752
140 HG3 GLU 23 HG3 GLU 23 5.010 0.638 19.217
141 H SER 24 H SER 24 1.466 2.962 21.753
142 HA SER 24 HA SER 24 0.223 5.394 20.946
143 HB2 SER 24 HB2 SER 24 0.781 3.999 23.472
144 HB3 SER 24 HB3 SER 24 0.802 5.757 23.604
145 HG SER 24 HG SER 24 -1.303 4.051 23.189
146 H GLY 25 H GLY 25 2.803 5.216 19.829
147 HA2 GLY 25 HA2 GLY 25 3.860 7.758 20.684
148 HA3 GLY 25 HA3 GLY 25 4.923 6.405 21.044
149 H PHE 26 H PHE 26 3.065 5.832 18.293
150 HA PHE 26 HA PHE 26 5.124 6.925 16.508
151 HB2 PHE 26 HB2 PHE 26 4.064 4.093 16.463
152 HB3 PHE 26 HB3 PHE 26 5.067 4.803 15.202
153 HD1 PHE 26 HD1 PHE 26 5.123 4.466 18.921
154 HD2 PHE 26 HD2 PHE 26 7.287 4.261 15.261
155 HE1 PHE 26 HE1 PHE 26 7.142 3.794 20.156
156 HE2 PHE 26 HE2 PHE 26 9.309 3.588 16.491
157 HZ PHE 26 HZ PHE 26 9.238 3.353 18.941
158 H HIS 27 H HIS 27 4.330 6.412 14.110
159 HA HIS 27 HA HIS 27 1.442 6.878 13.913
160 HB2 HIS 27 HB2 HIS 27 2.157 8.583 12.027
161 HB3 HIS 27 HB3 HIS 27 2.045 9.092 13.709
162 HD1 HIS 27 HD1 HIS 27 4.203 9.775 14.880
163 HD2 HIS 27 HD2 HIS 27 4.798 8.350 11.023
164 HE1 HIS 27 HE1 HIS 27 6.593 10.326 14.321
165 H ASP 28 H ASP 28 0.516 5.713 12.353
166 HA ASP 28 HA ASP 28 1.903 3.782 10.894
167 HB2 ASP 28 HB2 ASP 28 -0.386 3.370 11.226
168 HB3 ASP 28 HB3 ASP 28 -0.851 4.961 10.627
169 H CYS 29 H CYS 29 3.304 4.070 9.302
170 HA CYS 29 HA CYS 29 2.817 6.248 7.377
171 HB2 CYS 29 HB2 CYS 29 5.348 6.136 7.019
172 HB3 CYS 29 HB3 CYS 29 4.787 6.850 8.528
173 H GLY 30 H GLY 30 1.993 3.355 7.398
174 HA2 GLY 30 HA2 GLY 30 3.469 1.793 5.646
175 HA3 GLY 30 HA3 GLY 30 1.722 1.708 5.821
176 H SER 31 H SER 31 1.940 4.736 4.974
177 HA SER 31 HA SER 31 0.913 4.560 2.460
178 HB2 SER 31 HB2 SER 31 1.778 6.634 4.112
179 HB3 SER 31 HB3 SER 31 2.698 6.850 2.623
180 HG SER 31 HG SER 31 0.811 7.009 1.484
181 H ASP 32 H ASP 32 4.286 5.603 2.932
182 HA ASP 32 HA ASP 32 4.954 4.271 0.393
183 HB2 ASP 32 HB2 ASP 32 7.040 5.855 0.644
184 HB3 ASP 32 HB3 ASP 32 5.512 6.484 0.033
185 H HIS 33 H HIS 33 4.819 2.946 2.986
186 HA HIS 33 HA HIS 33 7.495 1.804 2.968
187 HB2 HIS 33 HB2 HIS 33 6.221 2.777 5.533
188 HB3 HIS 33 HB3 HIS 33 7.768 1.949 5.385
189 HD1 HIS 33 HD1 HIS 33 6.595 5.164 5.996
190 HD2 HIS 33 HD2 HIS 33 9.439 3.648 3.374
191 HE1 HIS 33 HE1 HIS 33 8.075 7.111 5.410
192 H TRP 34 H TRP 34 7.270 -0.320 2.832
193 HA TRP 34 HA TRP 34 4.898 -1.563 4.065
194 HB2 TRP 34 HB2 TRP 34 5.507 -3.395 2.237
195 HB3 TRP 34 HB3 TRP 34 4.493 -2.007 1.853
196 HD1 TRP 34 HD1 TRP 34 5.166 -0.846 -0.314
197 HE1 TRP 34 HE1 TRP 34 7.335 -0.567 -1.672
198 HE3 TRP 34 HE3 TRP 34 8.386 -3.337 2.778
199 HZ2 TRP 34 HZ2 TRP 34 10.051 -1.306 -1.460
200 HZ3 TRP 34 HZ3 TRP 34 10.753 -3.507 2.127
201 HH2 TRP 34 HH2 TRP 34 11.566 -2.512 0.051
202 H CYS 35 H CYS 35 5.255 -3.965 4.499
203 HA CYS 35 HA CYS 35 7.874 -4.271 5.800
204 HB2 CYS 35 HB2 CYS 35 5.128 -5.281 6.439
205 HB3 CYS 35 HB3 CYS 35 6.532 -6.178 7.008
206 H ASP 36 H ASP 36 8.549 -6.644 6.027
207 HA ASP 36 HA ASP 36 9.282 -7.696 3.621
208 HB2 ASP 36 HB2 ASP 36 8.944 -8.873 6.340
209 HB3 ASP 36 HB3 ASP 36 9.233 -9.972 4.994
210 H ALA 37 H ALA 37 6.313 -8.353 5.411
211 HA ALA 37 HA ALA 37 5.389 -10.168 3.319
212 HB1 ALA 37 HB1 ALA 37 4.096 -11.111 4.879
213 HB2 ALA 37 HB2 ALA 37 5.050 -10.185 6.038
214 HB3 ALA 37 HB3 ALA 37 3.508 -9.554 5.463
215 H SER 38 H SER 38 4.224 -9.463 1.666
216 HA SER 38 HA SER 38 3.444 -6.810 1.299
217 HB2 SER 38 HB2 SER 38 2.022 -9.069 -0.082
218 HB3 SER 38 HB3 SER 38 2.498 -7.499 -0.728
219 HG SER 38 HG SER 38 4.727 -8.292 -0.381
220 H GLY 39 H GLY 39 2.382 -6.348 3.347
221 HA2 GLY 39 HA2 GLY 39 -0.351 -6.057 3.171
222 HA3 GLY 39 HA3 GLY 39 -0.108 -7.580 4.015
223 H ASP 40 H ASP 40 2.458 -6.412 5.148
224 HA ASP 40 HA ASP 40 1.191 -5.205 7.471
225 HB2 ASP 40 HB2 ASP 40 3.796 -6.512 6.900
226 HB3 ASP 40 HB3 ASP 40 3.786 -5.280 8.159
227 H ARG 41 H ARG 41 1.280 -3.110 7.999
228 HA ARG 41 HA ARG 41 2.667 -1.301 6.175
229 HB2 ARG 41 HB2 ARG 41 1.306 0.286 7.965
230 HB3 ARG 41 HB3 ARG 41 0.706 -0.236 6.396
231 HG2 ARG 41 HG2 ARG 41 -0.524 -2.017 7.357
232 HG3 ARG 41 HG3 ARG 41 0.269 -1.807 8.919
233 HD2 ARG 41 HD2 ARG 41 -1.640 -0.683 9.388
234 HD3 ARG 41 HD3 ARG 41 -0.760 0.643 8.630
235 HE ARG 41 HE ARG 41 -3.050 -0.765 7.568
236 HH11 ARG 41 HH11 ARG 41 -0.346 1.321 6.888
237 HH12 ARG 41 HH12 ARG 41 -1.041 1.965 5.438
238 HH21 ARG 41 HH21 ARG 41 -3.975 0.076 5.660
239 HH22 ARG 41 HH22 ARG 41 -3.105 1.257 4.740
240 H CYS 42 H CYS 42 4.435 -0.180 6.708
241 HA CYS 42 HA CYS 42 5.697 -0.681 9.250
242 HB2 CYS 42 HB2 CYS 42 6.480 0.555 6.667
243 HB3 CYS 42 HB3 CYS 42 7.341 1.107 8.100
244 H CYS 43 H CYS 43 5.784 0.625 10.974
245 HA CYS 43 HA CYS 43 4.321 3.153 10.839
246 HB2 CYS 43 HB2 CYS 43 5.197 1.391 13.123
247 HB3 CYS 43 HB3 CYS 43 4.581 3.020 13.386
248 H CYS 44 H CYS 44 5.178 5.024 12.036
249 HA CYS 44 HA CYS 44 8.108 5.102 12.176
250 HB2 CYS 44 HB2 CYS 44 6.396 7.164 10.771
251 HB3 CYS 44 HB3 CYS 44 8.134 7.279 11.026
252 H ALA 45 H ALA 45 8.846 6.075 13.954
253 HA ALA 45 HA ALA 45 6.974 7.146 15.860
254 HB1 ALA 45 HB1 ALA 45 9.245 5.766 16.166
255 HB2 ALA 45 HB2 ALA 45 9.876 7.402 16.357
256 HB3 ALA 45 HB3 ALA 45 8.588 6.825 17.414
Start of MODEL 7
1 H CYS 1 H CYS 1 1.720 0.179 0.744
2 HA CYS 1 HA CYS 1 1.464 0.274 -2.169
3 HB2 CYS 1 HB2 CYS 1 3.979 0.871 -1.950
4 HB3 CYS 1 HB3 CYS 1 2.781 2.068 -1.469
5 H TYR 2 H TYR 2 2.958 -0.940 -3.506
6 HA TYR 2 HA TYR 2 3.258 -3.650 -2.533
7 HB2 TYR 2 HB2 TYR 2 2.814 -2.447 -5.052
8 HB3 TYR 2 HB3 TYR 2 4.365 -3.273 -5.157
9 HD1 TYR 2 HD1 TYR 2 1.272 -4.188 -3.282
10 HD2 TYR 2 HD2 TYR 2 3.988 -5.199 -6.398
11 HE1 TYR 2 HE1 TYR 2 0.105 -6.330 -3.596
12 HE2 TYR 2 HE2 TYR 2 2.827 -7.344 -6.721
13 HH TYR 2 HH TYR 2 0.008 -8.224 -4.742
14 HA PRO 3 HA PRO 3 7.549 -3.565 -1.613
15 HB2 PRO 3 HB2 PRO 3 8.307 -6.057 -2.380
16 HB3 PRO 3 HB3 PRO 3 7.327 -5.751 -0.940
17 HG2 PRO 3 HG2 PRO 3 6.464 -6.640 -3.666
18 HG3 PRO 3 HG3 PRO 3 5.929 -7.220 -2.078
19 HD2 PRO 3 HD2 PRO 3 4.482 -5.471 -3.553
20 HD3 PRO 3 HD3 PRO 3 4.484 -5.450 -1.777
21 H GLY 4 H GLY 4 7.928 -1.938 -3.336
22 HA2 GLY 4 HA2 GLY 4 10.043 -1.864 -4.740
23 HA3 GLY 4 HA3 GLY 4 9.254 -3.108 -5.699
24 H GLN 5 H GLN 5 7.092 -0.814 -4.455
25 HA GLN 5 HA GLN 5 6.488 0.164 -7.078
26 HB2 GLN 5 HB2 GLN 5 5.415 0.947 -4.363
27 HB3 GLN 5 HB3 GLN 5 4.777 1.535 -5.893
28 HG2 GLN 5 HG2 GLN 5 4.627 -1.086 -6.360
29 HG3 GLN 5 HG3 GLN 5 4.489 -1.105 -4.602
30 HE21 GLN 5 HE21 GLN 5 2.815 -0.863 -7.447
31 HE22 GLN 5 HE22 GLN 5 1.343 -0.188 -6.847
32 HA PRO 6 HA PRO 6 8.869 3.846 -7.218
33 HB2 PRO 6 HB2 PRO 6 7.191 5.530 -8.529
34 HB3 PRO 6 HB3 PRO 6 8.015 4.184 -9.324
35 HG2 PRO 6 HG2 PRO 6 5.207 4.347 -8.302
36 HG3 PRO 6 HG3 PRO 6 5.806 3.657 -9.821
37 HD2 PRO 6 HD2 PRO 6 5.176 2.130 -7.676
38 HD3 PRO 6 HD3 PRO 6 6.465 1.691 -8.815
39 H GLY 7 H GLY 7 8.927 4.310 -4.956
40 HA2 GLY 7 HA2 GLY 7 8.620 6.606 -3.888
41 HA3 GLY 7 HA3 GLY 7 6.906 6.254 -4.043
42 H CYS 8 H CYS 8 7.367 3.385 -3.427
43 HA CYS 8 HA CYS 8 7.437 3.689 -0.520
44 HB2 CYS 8 HB2 CYS 8 5.557 2.493 -1.828
45 HB3 CYS 8 HB3 CYS 8 6.705 1.168 -1.990
46 H GLY 9 H GLY 9 8.369 1.723 0.680
47 HA2 GLY 9 HA2 GLY 9 10.368 0.107 -0.405
48 HA3 GLY 9 HA3 GLY 9 11.139 1.594 0.128
49 H HIS 10 H HIS 10 12.149 -0.382 1.388
50 HA HIS 10 HA HIS 10 10.717 -1.406 3.608
51 HB2 HIS 10 HB2 HIS 10 12.720 -2.425 4.256
52 HB3 HIS 10 HB3 HIS 10 12.883 -2.296 2.507
53 HD1 HIS 10 HD1 HIS 10 14.978 -2.077 5.195
54 HD2 HIS 10 HD2 HIS 10 14.149 0.603 2.131
55 HE1 HIS 10 HE1 HIS 10 16.965 -0.540 5.091
56 H CYS 11 H CYS 11 10.139 -0.412 5.414
57 HA CYS 11 HA CYS 11 10.828 2.259 5.993
58 HB2 CYS 11 HB2 CYS 11 9.657 1.882 8.134
59 HB3 CYS 11 HB3 CYS 11 8.731 1.287 6.761
60 H SER 12 H SER 12 11.816 2.994 8.060
61 HA SER 12 HA SER 12 13.779 1.227 9.254
62 HB2 SER 12 HB2 SER 12 15.696 2.647 8.731
63 HB3 SER 12 HB3 SER 12 14.936 2.088 7.241
64 HG SER 12 HG SER 12 15.066 4.644 8.329
65 H ARG 13 H ARG 13 14.557 1.957 11.239
66 HA ARG 13 HA ARG 13 12.939 3.291 12.929
67 HB2 ARG 13 HB2 ARG 13 15.953 3.212 12.906
68 HB3 ARG 13 HB3 ARG 13 15.037 3.910 14.235
69 HG2 ARG 13 HG2 ARG 13 14.682 1.081 13.278
70 HG3 ARG 13 HG3 ARG 13 15.783 1.549 14.576
71 HD2 ARG 13 HD2 ARG 13 13.484 2.765 15.361
72 HD3 ARG 13 HD3 ARG 13 12.854 1.326 14.562
73 HE ARG 13 HE ARG 13 14.270 1.441 17.054
74 HH11 ARG 13 HH11 ARG 13 13.490 -0.555 14.310
75 HH12 ARG 13 HH12 ARG 13 13.717 -2.045 15.165
76 HH21 ARG 13 HH21 ARG 13 14.572 -0.514 18.190
77 HH22 ARG 13 HH22 ARG 13 14.331 -2.020 17.372
78 HA PRO 14 HA PRO 14 12.921 4.655 14.728
79 HB2 PRO 14 HB2 PRO 14 10.843 6.347 15.167
80 HB3 PRO 14 HB3 PRO 14 12.508 6.734 15.617
81 HG2 PRO 14 HG2 PRO 14 10.947 7.596 13.213
82 HG3 PRO 14 HG3 PRO 14 12.027 8.550 14.247
83 HD2 PRO 14 HD2 PRO 14 12.802 7.566 11.846
84 HD3 PRO 14 HD3 PRO 14 13.926 7.761 13.206
85 H ASN 15 H ASN 15 11.941 4.401 11.708
86 HA ASN 15 HA ASN 15 9.179 3.637 12.107
87 HB2 ASN 15 HB2 ASN 15 10.744 3.017 9.623
88 HB3 ASN 15 HB3 ASN 15 9.037 3.415 9.788
89 HD21 ASN 15 HD21 ASN 15 10.988 4.579 8.015
90 HD22 ASN 15 HD22 ASN 15 11.054 6.264 8.388
91 H TYR 16 H TYR 16 8.348 1.561 12.014
92 HA TYR 16 HA TYR 16 10.218 -0.677 11.846
93 HB2 TYR 16 HB2 TYR 16 9.517 -1.661 13.915
94 HB3 TYR 16 HB3 TYR 16 10.002 -0.005 14.258
95 HD1 TYR 16 HD1 TYR 16 8.146 1.757 14.430
96 HD2 TYR 16 HD2 TYR 16 7.402 -2.430 14.549
97 HE1 TYR 16 HE1 TYR 16 5.968 2.181 15.491
98 HE2 TYR 16 HE2 TYR 16 5.221 -2.018 15.608
99 HH TYR 16 HH TYR 16 4.000 -0.417 16.746
100 H CYS 17 H CYS 17 8.681 -2.773 12.386
101 HA CYS 17 HA CYS 17 6.680 -2.667 10.271
102 HB2 CYS 17 HB2 CYS 17 8.291 -4.775 11.572
103 HB3 CYS 17 HB3 CYS 17 6.665 -5.253 11.097
104 H GLU 18 H GLU 18 4.525 -2.907 10.557
105 HA GLU 18 HA GLU 18 3.482 -3.691 13.161
106 HB2 GLU 18 HB2 GLU 18 3.827 -1.141 13.043
107 HB3 GLU 18 HB3 GLU 18 2.486 -1.145 11.906
108 HG2 GLU 18 HG2 GLU 18 2.120 -0.754 14.482
109 HG3 GLU 18 HG3 GLU 18 0.945 -1.627 13.499
110 H GLY 19 H GLY 19 2.068 -5.241 12.717
111 HA2 GLY 19 HA2 GLY 19 0.587 -5.131 10.181
112 HA3 GLY 19 HA3 GLY 19 0.828 -6.567 11.165
113 H ALA 20 H ALA 20 0.073 -4.000 13.150
114 HA ALA 20 HA ALA 20 -2.811 -4.584 13.027
115 HB1 ALA 20 HB1 ALA 20 -2.059 -3.994 15.713
116 HB2 ALA 20 HB2 ALA 20 -2.793 -5.461 15.063
117 HB3 ALA 20 HB3 ALA 20 -1.037 -5.297 15.105
118 H ARG 21 H ARG 21 -0.762 -2.477 15.038
119 HA ARG 21 HA ARG 21 -1.682 -0.086 13.749
120 HB2 ARG 21 HB2 ARG 21 -3.310 -1.134 15.789
121 HB3 ARG 21 HB3 ARG 21 -2.440 0.210 16.515
122 HG2 ARG 21 HG2 ARG 21 -3.422 1.766 15.149
123 HG3 ARG 21 HG3 ARG 21 -3.734 0.599 13.863
124 HD2 ARG 21 HD2 ARG 21 -5.120 0.001 16.366
125 HD3 ARG 21 HD3 ARG 21 -5.588 1.541 15.646
126 HE ARG 21 HE ARG 21 -5.572 -0.506 13.691
127 HH11 ARG 21 HH11 ARG 21 -7.399 0.682 16.406
128 HH12 ARG 21 HH12 ARG 21 -8.910 0.064 15.827
129 HH21 ARG 21 HH21 ARG 21 -7.555 -1.325 12.918
130 HH22 ARG 21 HH22 ARG 21 -8.998 -1.079 13.843
131 H CYS 22 H CYS 22 -0.492 1.725 14.331
132 HA CYS 22 HA CYS 22 2.101 1.319 15.262
133 HB2 CYS 22 HB2 CYS 22 0.551 3.917 15.260
134 HB3 CYS 22 HB3 CYS 22 2.303 3.752 15.307
135 H GLU 23 H GLU 23 3.136 1.694 17.202
136 HA GLU 23 HA GLU 23 1.601 1.264 19.558
137 HB2 GLU 23 HB2 GLU 23 4.513 1.892 19.096
138 HB3 GLU 23 HB3 GLU 23 3.841 1.660 20.704
139 HG2 GLU 23 HG2 GLU 23 3.090 -0.497 18.946
140 HG3 GLU 23 HG3 GLU 23 4.840 -0.291 18.998
141 H SER 24 H SER 24 1.855 2.658 21.527
142 HA SER 24 HA SER 24 0.746 5.178 21.096
143 HB2 SER 24 HB2 SER 24 2.289 4.327 23.555
144 HB3 SER 24 HB3 SER 24 1.031 5.560 23.463
145 HG SER 24 HG SER 24 -0.427 3.865 22.870
146 H GLY 25 H GLY 25 1.935 6.416 19.664
147 HA2 GLY 25 HA2 GLY 25 3.450 8.416 20.153
148 HA3 GLY 25 HA3 GLY 25 4.646 7.187 20.533
149 H PHE 26 H PHE 26 3.425 5.514 18.294
150 HA PHE 26 HA PHE 26 5.052 6.703 16.180
151 HB2 PHE 26 HB2 PHE 26 3.859 3.943 16.495
152 HB3 PHE 26 HB3 PHE 26 4.775 4.463 15.083
153 HD1 PHE 26 HD1 PHE 26 5.009 3.984 18.751
154 HD2 PHE 26 HD2 PHE 26 7.105 4.355 15.065
155 HE1 PHE 26 HE1 PHE 26 7.099 3.344 19.879
156 HE2 PHE 26 HE2 PHE 26 9.199 3.714 16.187
157 HZ PHE 26 HZ PHE 26 9.198 3.207 18.597
158 H HIS 27 H HIS 27 4.253 6.555 13.926
159 HA HIS 27 HA HIS 27 1.334 6.907 13.763
160 HB2 HIS 27 HB2 HIS 27 1.966 8.595 11.875
161 HB3 HIS 27 HB3 HIS 27 2.033 9.112 13.557
162 HD1 HIS 27 HD1 HIS 27 4.269 9.856 14.456
163 HD2 HIS 27 HD2 HIS 27 4.537 8.122 10.690
164 HE1 HIS 27 HE1 HIS 27 6.626 10.280 13.686
165 H ASP 28 H ASP 28 0.322 6.058 11.990
166 HA ASP 28 HA ASP 28 1.601 3.941 10.625
167 HB2 ASP 28 HB2 ASP 28 -0.711 3.678 10.889
168 HB3 ASP 28 HB3 ASP 28 -1.055 5.312 10.328
169 H CYS 29 H CYS 29 3.076 4.149 9.086
170 HA CYS 29 HA CYS 29 2.745 6.310 7.109
171 HB2 CYS 29 HB2 CYS 29 5.268 6.202 6.880
172 HB3 CYS 29 HB3 CYS 29 4.666 6.878 8.390
173 H GLY 30 H GLY 30 1.843 3.455 7.139
174 HA2 GLY 30 HA2 GLY 30 3.383 1.815 5.508
175 HA3 GLY 30 HA3 GLY 30 1.629 1.765 5.601
176 H SER 31 H SER 31 1.963 4.771 4.694
177 HA SER 31 HA SER 31 1.036 4.573 2.149
178 HB2 SER 31 HB2 SER 31 3.014 6.736 2.830
179 HB3 SER 31 HB3 SER 31 1.550 6.847 1.854
180 HG SER 31 HG SER 31 0.424 7.180 3.600
181 H ASP 32 H ASP 32 4.428 5.503 2.702
182 HA ASP 32 HA ASP 32 5.131 4.030 0.251
183 HB2 ASP 32 HB2 ASP 32 7.237 5.580 0.445
184 HB3 ASP 32 HB3 ASP 32 5.731 6.219 -0.207
185 H HIS 33 H HIS 33 4.895 2.832 2.881
186 HA HIS 33 HA HIS 33 7.554 1.660 3.019
187 HB2 HIS 33 HB2 HIS 33 6.207 2.733 5.504
188 HB3 HIS 33 HB3 HIS 33 7.775 1.935 5.415
189 HD1 HIS 33 HD1 HIS 33 6.581 5.123 5.967
190 HD2 HIS 33 HD2 HIS 33 9.385 3.619 3.296
191 HE1 HIS 33 HE1 HIS 33 8.013 7.086 5.319
192 H TRP 34 H TRP 34 7.261 -0.456 2.900
193 HA TRP 34 HA TRP 34 4.873 -1.618 4.180
194 HB2 TRP 34 HB2 TRP 34 5.414 -3.498 2.378
195 HB3 TRP 34 HB3 TRP 34 4.423 -2.096 1.985
196 HD1 TRP 34 HD1 TRP 34 5.077 -1.015 -0.229
197 HE1 TRP 34 HE1 TRP 34 7.231 -0.796 -1.621
198 HE3 TRP 34 HE3 TRP 34 8.312 -3.453 2.891
199 HZ2 TRP 34 HZ2 TRP 34 9.942 -1.556 -1.422
200 HZ3 TRP 34 HZ3 TRP 34 10.668 -3.663 2.216
201 HH2 TRP 34 HH2 TRP 34 11.464 -2.735 0.103
202 H CYS 35 H CYS 35 5.187 -4.030 4.634
203 HA CYS 35 HA CYS 35 7.801 -4.359 5.937
204 HB2 CYS 35 HB2 CYS 35 5.043 -5.342 6.560
205 HB3 CYS 35 HB3 CYS 35 6.430 -6.265 7.127
206 H ASP 36 H ASP 36 8.470 -6.729 6.165
207 HA ASP 36 HA ASP 36 9.167 -7.781 3.730
208 HB2 ASP 36 HB2 ASP 36 8.962 -8.921 6.478
209 HB3 ASP 36 HB3 ASP 36 9.223 -10.035 5.140
210 H ALA 37 H ALA 37 6.278 -8.458 5.636
211 HA ALA 37 HA ALA 37 5.320 -10.341 3.621
212 HB1 ALA 37 HB1 ALA 37 3.524 -9.686 5.838
213 HB2 ALA 37 HB2 ALA 37 4.060 -11.254 5.234
214 HB3 ALA 37 HB3 ALA 37 5.087 -10.335 6.335
215 H SER 38 H SER 38 4.021 -9.742 2.022
216 HA SER 38 HA SER 38 3.202 -7.103 1.594
217 HB2 SER 38 HB2 SER 38 3.457 -8.792 -0.203
218 HB3 SER 38 HB3 SER 38 2.015 -9.615 0.390
219 HG SER 38 HG SER 38 0.774 -8.017 -0.343
220 H GLY 39 H GLY 39 2.237 -6.609 3.694
221 HA2 GLY 39 HA2 GLY 39 -0.511 -6.359 3.626
222 HA3 GLY 39 HA3 GLY 39 -0.200 -7.843 4.514
223 H ASP 40 H ASP 40 2.395 -6.583 5.474
224 HA ASP 40 HA ASP 40 1.211 -5.294 7.800
225 HB2 ASP 40 HB2 ASP 40 3.796 -6.620 7.187
226 HB3 ASP 40 HB3 ASP 40 3.829 -5.337 8.393
227 H ARG 41 H ARG 41 1.277 -3.175 8.200
228 HA ARG 41 HA ARG 41 2.629 -1.452 6.267
229 HB2 ARG 41 HB2 ARG 41 1.227 0.119 8.137
230 HB3 ARG 41 HB3 ARG 41 0.768 -0.242 6.478
231 HG2 ARG 41 HG2 ARG 41 -1.091 -0.874 7.706
232 HG3 ARG 41 HG3 ARG 41 -0.241 -2.398 7.444
233 HD2 ARG 41 HD2 ARG 41 -0.207 -2.719 9.640
234 HD3 ARG 41 HD3 ARG 41 0.809 -1.287 9.807
235 HE ARG 41 HE ARG 41 -2.047 -1.474 10.299
236 HH11 ARG 41 HH11 ARG 41 0.745 0.567 9.898
237 HH12 ARG 41 HH12 ARG 41 0.028 1.927 10.697
238 HH21 ARG 41 HH21 ARG 41 -3.002 0.310 11.352
239 HH22 ARG 41 HH22 ARG 41 -2.103 1.780 11.524
240 H CYS 42 H CYS 42 4.341 -0.200 6.738
241 HA CYS 42 HA CYS 42 5.697 -0.619 9.243
242 HB2 CYS 42 HB2 CYS 42 6.344 0.823 6.694
243 HB3 CYS 42 HB3 CYS 42 7.315 1.109 8.134
244 H CYS 43 H CYS 43 5.718 0.673 10.972
245 HA CYS 43 HA CYS 43 4.266 3.220 10.795
246 HB2 CYS 43 HB2 CYS 43 4.772 1.280 13.027
247 HB3 CYS 43 HB3 CYS 43 4.378 2.956 13.391
248 H CYS 44 H CYS 44 5.212 5.127 11.274
249 HA CYS 44 HA CYS 44 8.073 5.054 11.967
250 HB2 CYS 44 HB2 CYS 44 6.571 7.270 10.559
251 HB3 CYS 44 HB3 CYS 44 8.312 7.164 10.802
252 H ALA 45 H ALA 45 8.792 6.104 13.730
253 HA ALA 45 HA ALA 45 6.857 7.113 15.605
254 HB1 ALA 45 HB1 ALA 45 9.750 7.456 16.128
255 HB2 ALA 45 HB2 ALA 45 8.466 6.871 17.186
256 HB3 ALA 45 HB3 ALA 45 9.152 5.805 15.960
Start of MODEL 8
1 H CYS 1 H CYS 1 1.383 0.845 0.603
2 HA CYS 1 HA CYS 1 1.475 0.328 -2.132
3 HB2 CYS 1 HB2 CYS 1 3.932 0.985 -1.901
4 HB3 CYS 1 HB3 CYS 1 2.744 2.157 -1.339
5 H TYR 2 H TYR 2 2.924 -0.979 -3.380
6 HA TYR 2 HA TYR 2 3.281 -3.616 -2.215
7 HB2 TYR 2 HB2 TYR 2 3.080 -2.495 -4.937
8 HB3 TYR 2 HB3 TYR 2 4.184 -3.857 -4.772
9 HD1 TYR 2 HD1 TYR 2 1.286 -3.419 -6.127
10 HD2 TYR 2 HD2 TYR 2 2.758 -5.426 -2.675
11 HE1 TYR 2 HE1 TYR 2 -0.621 -4.969 -6.222
12 HE2 TYR 2 HE2 TYR 2 0.855 -6.982 -2.762
13 HH TYR 2 HH TYR 2 -1.756 -6.564 -5.098
14 HA PRO 3 HA PRO 3 7.630 -3.525 -1.650
15 HB2 PRO 3 HB2 PRO 3 8.423 -5.938 -2.609
16 HB3 PRO 3 HB3 PRO 3 7.523 -5.753 -1.099
17 HG2 PRO 3 HG2 PRO 3 6.526 -6.512 -3.818
18 HG3 PRO 3 HG3 PRO 3 6.108 -7.204 -2.240
19 HD2 PRO 3 HD2 PRO 3 4.516 -5.425 -3.519
20 HD3 PRO 3 HD3 PRO 3 4.625 -5.508 -1.749
21 H GLY 4 H GLY 4 8.498 -1.948 -2.953
22 HA2 GLY 4 HA2 GLY 4 10.245 -1.576 -4.554
23 HA3 GLY 4 HA3 GLY 4 9.590 -2.891 -5.518
24 H GLN 5 H GLN 5 7.296 -0.719 -4.199
25 HA GLN 5 HA GLN 5 6.484 0.123 -6.813
26 HB2 GLN 5 HB2 GLN 5 5.521 0.763 -4.033
27 HB3 GLN 5 HB3 GLN 5 4.843 1.546 -5.454
28 HG2 GLN 5 HG2 GLN 5 4.676 -1.051 -6.183
29 HG3 GLN 5 HG3 GLN 5 4.471 -1.180 -4.437
30 HE21 GLN 5 HE21 GLN 5 2.920 -0.684 -7.323
31 HE22 GLN 5 HE22 GLN 5 1.443 -0.011 -6.731
32 HA PRO 6 HA PRO 6 8.582 3.953 -7.225
33 HB2 PRO 6 HB2 PRO 6 6.690 5.516 -8.386
34 HB3 PRO 6 HB3 PRO 6 7.511 4.206 -9.242
35 HG2 PRO 6 HG2 PRO 6 4.809 4.225 -7.955
36 HG3 PRO 6 HG3 PRO 6 5.298 3.545 -9.517
37 HD2 PRO 6 HD2 PRO 6 4.968 2.021 -7.304
38 HD3 PRO 6 HD3 PRO 6 6.166 1.638 -8.557
39 H GLY 7 H GLY 7 8.824 4.451 -4.980
40 HA2 GLY 7 HA2 GLY 7 8.557 6.687 -3.853
41 HA3 GLY 7 HA3 GLY 7 6.831 6.377 -3.958
42 H CYS 8 H CYS 8 7.325 3.474 -3.383
43 HA CYS 8 HA CYS 8 7.417 3.762 -0.476
44 HB2 CYS 8 HB2 CYS 8 5.550 2.538 -1.791
45 HB3 CYS 8 HB3 CYS 8 6.720 1.230 -1.940
46 H GLY 9 H GLY 9 8.409 1.840 0.720
47 HA2 GLY 9 HA2 GLY 9 10.427 0.260 -0.406
48 HA3 GLY 9 HA3 GLY 9 11.167 1.752 0.154
49 H HIS 10 H HIS 10 12.218 -0.228 1.375
50 HA HIS 10 HA HIS 10 10.810 -1.324 3.575
51 HB2 HIS 10 HB2 HIS 10 12.823 -2.380 2.651
52 HB3 HIS 10 HB3 HIS 10 13.790 -1.000 3.161
53 HD1 HIS 10 HD1 HIS 10 11.188 -2.407 5.446
54 HD2 HIS 10 HD2 HIS 10 15.305 -2.570 4.913
55 HE1 HIS 10 HE1 HIS 10 12.092 -3.492 7.526
56 H CYS 11 H CYS 11 10.200 -0.369 5.392
57 HA CYS 11 HA CYS 11 10.838 2.303 6.023
58 HB2 CYS 11 HB2 CYS 11 9.658 1.869 8.147
59 HB3 CYS 11 HB3 CYS 11 8.752 1.278 6.758
60 H SER 12 H SER 12 11.801 3.018 8.108
61 HA SER 12 HA SER 12 13.802 1.259 9.261
62 HB2 SER 12 HB2 SER 12 14.488 3.081 7.186
63 HB3 SER 12 HB3 SER 12 15.163 3.708 8.690
64 HG SER 12 HG SER 12 16.682 2.319 8.080
65 H ARG 13 H ARG 13 14.526 1.920 11.286
66 HA ARG 13 HA ARG 13 12.855 3.144 13.007
67 HB2 ARG 13 HB2 ARG 13 15.874 3.245 13.063
68 HB3 ARG 13 HB3 ARG 13 14.847 3.675 14.424
69 HG2 ARG 13 HG2 ARG 13 14.073 1.458 14.666
70 HG3 ARG 13 HG3 ARG 13 14.746 0.978 13.107
71 HD2 ARG 13 HD2 ARG 13 16.352 0.141 14.499
72 HD3 ARG 13 HD3 ARG 13 17.000 1.759 14.231
73 HE ARG 13 HE ARG 13 15.905 0.701 16.688
74 HH11 ARG 13 HH11 ARG 13 16.793 3.546 14.888
75 HH12 ARG 13 HH12 ARG 13 16.952 4.545 16.295
76 HH21 ARG 13 HH21 ARG 13 16.111 2.006 18.547
77 HH22 ARG 13 HH22 ARG 13 16.565 3.668 18.375
78 HA PRO 14 HA PRO 14 12.800 4.430 14.871
79 HB2 PRO 14 HB2 PRO 14 10.685 6.058 15.367
80 HB3 PRO 14 HB3 PRO 14 12.339 6.460 15.844
81 HG2 PRO 14 HG2 PRO 14 10.774 7.391 13.468
82 HG3 PRO 14 HG3 PRO 14 11.827 8.322 14.549
83 HD2 PRO 14 HD2 PRO 14 12.636 7.458 12.114
84 HD3 PRO 14 HD3 PRO 14 13.748 7.618 13.489
85 H ASN 15 H ASN 15 11.849 4.274 11.838
86 HA ASN 15 HA ASN 15 9.098 3.446 12.179
87 HB2 ASN 15 HB2 ASN 15 10.701 2.948 9.692
88 HB3 ASN 15 HB3 ASN 15 8.984 3.305 9.853
89 HD21 ASN 15 HD21 ASN 15 10.936 4.572 8.148
90 HD22 ASN 15 HD22 ASN 15 10.960 6.244 8.583
91 H TYR 16 H TYR 16 8.307 1.363 12.026
92 HA TYR 16 HA TYR 16 10.212 -0.837 11.774
93 HB2 TYR 16 HB2 TYR 16 9.538 -1.903 13.811
94 HB3 TYR 16 HB3 TYR 16 9.995 -0.251 14.210
95 HD1 TYR 16 HD1 TYR 16 8.116 1.469 14.465
96 HD2 TYR 16 HD2 TYR 16 7.432 -2.730 14.409
97 HE1 TYR 16 HE1 TYR 16 5.935 1.816 15.547
98 HE2 TYR 16 HE2 TYR 16 5.248 -2.395 15.490
99 HH TYR 16 HH TYR 16 4.373 0.185 17.103
100 H CYS 17 H CYS 17 8.679 -2.966 12.290
101 HA CYS 17 HA CYS 17 6.691 -2.832 10.164
102 HB2 CYS 17 HB2 CYS 17 8.302 -4.960 11.438
103 HB3 CYS 17 HB3 CYS 17 6.686 -5.433 10.925
104 H GLU 18 H GLU 18 4.538 -3.049 10.443
105 HA GLU 18 HA GLU 18 3.482 -3.923 13.013
106 HB2 GLU 18 HB2 GLU 18 3.842 -1.371 12.985
107 HB3 GLU 18 HB3 GLU 18 2.501 -1.329 11.849
108 HG2 GLU 18 HG2 GLU 18 2.137 -1.028 14.437
109 HG3 GLU 18 HG3 GLU 18 0.958 -1.861 13.425
110 H GLY 19 H GLY 19 2.273 -5.579 12.315
111 HA2 GLY 19 HA2 GLY 19 0.724 -5.311 9.852
112 HA3 GLY 19 HA3 GLY 19 0.974 -6.790 10.767
113 H ALA 20 H ALA 20 0.189 -4.366 12.896
114 HA ALA 20 HA ALA 20 -2.686 -4.998 12.740
115 HB1 ALA 20 HB1 ALA 20 -2.437 -4.606 15.360
116 HB2 ALA 20 HB2 ALA 20 -2.212 -6.189 14.614
117 HB3 ALA 20 HB3 ALA 20 -0.810 -5.200 15.024
118 H ARG 21 H ARG 21 -0.769 -2.869 14.844
119 HA ARG 21 HA ARG 21 -1.681 -0.477 13.560
120 HB2 ARG 21 HB2 ARG 21 -3.356 -1.622 15.552
121 HB3 ARG 21 HB3 ARG 21 -2.626 -0.177 16.237
122 HG2 ARG 21 HG2 ARG 21 -3.383 1.048 14.173
123 HG3 ARG 21 HG3 ARG 21 -4.312 -0.394 13.761
124 HD2 ARG 21 HD2 ARG 21 -5.888 0.045 15.294
125 HD3 ARG 21 HD3 ARG 21 -4.702 0.514 16.511
126 HE ARG 21 HE ARG 21 -5.191 2.675 16.009
127 HH11 ARG 21 HH11 ARG 21 -5.861 0.730 13.201
128 HH12 ARG 21 HH12 ARG 21 -6.448 2.060 12.258
129 HH21 ARG 21 HH21 ARG 21 -5.961 4.434 14.778
130 HH22 ARG 21 HH22 ARG 21 -6.503 4.167 13.156
131 H CYS 22 H CYS 22 -0.515 1.311 14.181
132 HA CYS 22 HA CYS 22 1.994 0.937 15.325
133 HB2 CYS 22 HB2 CYS 22 0.480 3.552 15.242
134 HB3 CYS 22 HB3 CYS 22 2.227 3.335 15.281
135 H GLU 23 H GLU 23 2.873 1.360 17.334
136 HA GLU 23 HA GLU 23 1.178 0.921 19.570
137 HB2 GLU 23 HB2 GLU 23 3.233 1.233 20.909
138 HB3 GLU 23 HB3 GLU 23 3.459 0.106 19.580
139 HG2 GLU 23 HG2 GLU 23 4.258 2.340 18.366
140 HG3 GLU 23 HG3 GLU 23 4.643 2.773 20.031
141 H SER 24 H SER 24 0.989 2.319 21.451
142 HA SER 24 HA SER 24 -0.021 4.841 20.846
143 HB2 SER 24 HB2 SER 24 0.625 3.351 23.315
144 HB3 SER 24 HB3 SER 24 0.563 5.105 23.487
145 HG SER 24 HG SER 24 -1.535 4.999 22.492
146 H GLY 25 H GLY 25 1.640 5.795 19.519
147 HA2 GLY 25 HA2 GLY 25 3.010 7.875 20.508
148 HA3 GLY 25 HA3 GLY 25 4.134 6.556 20.798
149 H PHE 26 H PHE 26 3.121 5.192 18.313
150 HA PHE 26 HA PHE 26 4.842 6.662 16.461
151 HB2 PHE 26 HB2 PHE 26 3.771 3.836 16.403
152 HB3 PHE 26 HB3 PHE 26 4.746 4.543 15.118
153 HD1 PHE 26 HD1 PHE 26 6.927 3.865 15.123
154 HD2 PHE 26 HD2 PHE 26 4.922 4.357 18.846
155 HE1 PHE 26 HE1 PHE 26 8.976 3.198 16.311
156 HE2 PHE 26 HE2 PHE 26 6.968 3.692 20.039
157 HZ PHE 26 HZ PHE 26 8.999 3.112 18.772
158 H HIS 27 H HIS 27 4.096 6.193 14.041
159 HA HIS 27 HA HIS 27 1.218 6.696 13.789
160 HB2 HIS 27 HB2 HIS 27 1.941 8.419 11.957
161 HB3 HIS 27 HB3 HIS 27 1.909 8.904 13.650
162 HD1 HIS 27 HD1 HIS 27 4.092 9.626 14.694
163 HD2 HIS 27 HD2 HIS 27 4.573 7.994 10.904
164 HE1 HIS 27 HE1 HIS 27 6.485 10.079 14.065
165 H ASP 28 H ASP 28 0.286 5.695 12.098
166 HA ASP 28 HA ASP 28 1.676 3.704 10.681
167 HB2 ASP 28 HB2 ASP 28 -0.647 3.375 10.990
168 HB3 ASP 28 HB3 ASP 28 -1.042 4.953 10.314
169 H CYS 29 H CYS 29 3.086 3.955 9.091
170 HA CYS 29 HA CYS 29 2.680 6.167 7.186
171 HB2 CYS 29 HB2 CYS 29 5.205 6.103 6.909
172 HB3 CYS 29 HB3 CYS 29 4.612 6.746 8.437
173 H GLY 30 H GLY 30 1.778 3.346 7.100
174 HA2 GLY 30 HA2 GLY 30 3.316 1.733 5.444
175 HA3 GLY 30 HA3 GLY 30 1.560 1.710 5.505
176 H SER 31 H SER 31 1.911 4.725 4.694
177 HA SER 31 HA SER 31 1.043 4.621 2.130
178 HB2 SER 31 HB2 SER 31 2.887 6.818 2.286
179 HB3 SER 31 HB3 SER 31 1.125 6.848 2.354
180 HG SER 31 HG SER 31 1.266 7.191 4.414
181 H ASP 32 H ASP 32 4.427 5.540 2.725
182 HA ASP 32 HA ASP 32 5.155 4.079 0.274
183 HB2 ASP 32 HB2 ASP 32 7.256 5.653 0.519
184 HB3 ASP 32 HB3 ASP 32 5.763 6.253 -0.198
185 H HIS 33 H HIS 33 4.911 2.845 2.870
186 HA HIS 33 HA HIS 33 7.587 1.718 3.037
187 HB2 HIS 33 HB2 HIS 33 6.182 2.747 5.510
188 HB3 HIS 33 HB3 HIS 33 7.756 1.960 5.446
189 HD1 HIS 33 HD1 HIS 33 6.563 5.124 6.045
190 HD2 HIS 33 HD2 HIS 33 9.366 3.686 3.336
191 HE1 HIS 33 HE1 HIS 33 7.988 7.105 5.436
192 H TRP 34 H TRP 34 7.317 -0.397 2.862
193 HA TRP 34 HA TRP 34 4.941 -1.618 4.109
194 HB2 TRP 34 HB2 TRP 34 5.509 -3.454 2.273
195 HB3 TRP 34 HB3 TRP 34 4.509 -2.052 1.898
196 HD1 TRP 34 HD1 TRP 34 5.167 -0.949 -0.302
197 HE1 TRP 34 HE1 TRP 34 7.331 -0.679 -1.669
198 HE3 TRP 34 HE3 TRP 34 8.409 -3.365 2.826
199 HZ2 TRP 34 HZ2 TRP 34 10.052 -1.397 -1.451
200 HZ3 TRP 34 HZ3 TRP 34 10.775 -3.530 2.173
201 HH2 TRP 34 HH2 TRP 34 11.578 -2.566 0.078
202 H CYS 35 H CYS 35 5.307 -4.062 4.458
203 HA CYS 35 HA CYS 35 7.903 -4.366 5.805
204 HB2 CYS 35 HB2 CYS 35 5.161 -5.440 6.342
205 HB3 CYS 35 HB3 CYS 35 6.562 -6.347 6.901
206 H ASP 36 H ASP 36 8.638 -6.718 5.959
207 HA ASP 36 HA ASP 36 9.401 -7.667 3.502
208 HB2 ASP 36 HB2 ASP 36 9.189 -8.902 6.207
209 HB3 ASP 36 HB3 ASP 36 9.496 -9.966 4.837
210 H ALA 37 H ALA 37 6.508 -8.501 5.341
211 HA ALA 37 HA ALA 37 5.632 -10.328 3.237
212 HB1 ALA 37 HB1 ALA 37 5.413 -10.569 5.889
213 HB2 ALA 37 HB2 ALA 37 3.880 -9.764 5.552
214 HB3 ALA 37 HB3 ALA 37 4.265 -11.294 4.763
215 H SER 38 H SER 38 4.361 -9.679 1.638
216 HA SER 38 HA SER 38 3.454 -7.060 1.319
217 HB2 SER 38 HB2 SER 38 3.637 -8.253 -0.676
218 HB3 SER 38 HB3 SER 38 2.794 -9.660 -0.029
219 HG SER 38 HG SER 38 1.109 -8.836 -0.965
220 H GLY 39 H GLY 39 2.446 -6.667 3.413
221 HA2 GLY 39 HA2 GLY 39 -0.310 -6.517 3.323
222 HA3 GLY 39 HA3 GLY 39 0.051 -8.012 4.173
223 H ASP 40 H ASP 40 2.584 -6.692 5.199
224 HA ASP 40 HA ASP 40 1.326 -5.494 7.537
225 HB2 ASP 40 HB2 ASP 40 3.947 -6.755 6.943
226 HB3 ASP 40 HB3 ASP 40 3.940 -5.492 8.170
227 H ARG 41 H ARG 41 1.385 -3.388 8.033
228 HA ARG 41 HA ARG 41 2.702 -1.585 6.148
229 HB2 ARG 41 HB2 ARG 41 1.300 -0.018 7.951
230 HB3 ARG 41 HB3 ARG 41 0.743 -0.525 6.362
231 HG2 ARG 41 HG2 ARG 41 -0.220 -2.566 7.457
232 HG3 ARG 41 HG3 ARG 41 0.162 -1.820 9.011
233 HD2 ARG 41 HD2 ARG 41 -1.148 0.181 7.631
234 HD3 ARG 41 HD3 ARG 41 -2.017 -1.279 7.162
235 HE ARG 41 HE ARG 41 -2.810 -1.470 9.312
236 HH11 ARG 41 HH11 ARG 41 -0.280 0.920 9.199
237 HH12 ARG 41 HH12 ARG 41 -0.575 1.497 10.805
238 HH21 ARG 41 HH21 ARG 41 -3.208 -0.718 11.429
239 HH22 ARG 41 HH22 ARG 41 -2.240 0.565 12.073
240 H CYS 42 H CYS 42 4.379 -0.301 6.666
241 HA CYS 42 HA CYS 42 5.737 -0.773 9.163
242 HB2 CYS 42 HB2 CYS 42 6.364 0.739 6.652
243 HB3 CYS 42 HB3 CYS 42 7.313 1.036 8.105
244 H CYS 43 H CYS 43 5.677 0.444 10.938
245 HA CYS 43 HA CYS 43 4.192 2.973 10.827
246 HB2 CYS 43 HB2 CYS 43 4.729 0.981 13.008
247 HB3 CYS 43 HB3 CYS 43 4.278 2.634 13.410
248 H CYS 44 H CYS 44 5.103 4.883 11.349
249 HA CYS 44 HA CYS 44 7.957 4.846 12.070
250 HB2 CYS 44 HB2 CYS 44 6.413 7.066 10.715
251 HB3 CYS 44 HB3 CYS 44 8.153 7.004 10.979
252 H ALA 45 H ALA 45 8.633 5.830 13.883
253 HA ALA 45 HA ALA 45 6.665 6.757 15.765
254 HB1 ALA 45 HB1 ALA 45 8.984 5.469 16.093
255 HB2 ALA 45 HB2 ALA 45 9.540 7.123 16.350
256 HB3 ALA 45 HB3 ALA 45 8.251 6.460 17.354
Start of MODEL 9
1 H CYS 1 H CYS 1 1.688 -0.257 0.885
2 HA CYS 1 HA CYS 1 1.299 0.178 -2.005
3 HB2 CYS 1 HB2 CYS 1 3.808 0.853 -1.892
4 HB3 CYS 1 HB3 CYS 1 2.587 2.014 -1.378
5 H TYR 2 H TYR 2 2.803 -0.970 -3.406
6 HA TYR 2 HA TYR 2 3.214 -3.677 -2.469
7 HB2 TYR 2 HB2 TYR 2 2.662 -2.467 -4.961
8 HB3 TYR 2 HB3 TYR 2 4.238 -3.235 -5.118
9 HD1 TYR 2 HD1 TYR 2 3.834 -5.120 -6.431
10 HD2 TYR 2 HD2 TYR 2 1.293 -4.319 -3.113
11 HE1 TYR 2 HE1 TYR 2 2.742 -7.301 -6.748
12 HE2 TYR 2 HE2 TYR 2 0.195 -6.498 -3.420
13 HH TYR 2 HH TYR 2 1.073 -8.635 -6.110
14 HA PRO 3 HA PRO 3 7.522 -3.468 -1.659
15 HB2 PRO 3 HB2 PRO 3 8.333 -5.931 -2.462
16 HB3 PRO 3 HB3 PRO 3 7.383 -5.664 -0.996
17 HG2 PRO 3 HG2 PRO 3 6.475 -6.560 -3.704
18 HG3 PRO 3 HG3 PRO 3 6.000 -7.167 -2.107
19 HD2 PRO 3 HD2 PRO 3 4.463 -5.451 -3.531
20 HD3 PRO 3 HD3 PRO 3 4.511 -5.442 -1.756
21 H GLY 4 H GLY 4 7.801 -1.819 -3.383
22 HA2 GLY 4 HA2 GLY 4 9.875 -1.667 -4.840
23 HA3 GLY 4 HA3 GLY 4 9.106 -2.934 -5.784
24 H GLN 5 H GLN 5 6.912 -0.704 -4.468
25 HA GLN 5 HA GLN 5 6.196 0.252 -7.071
26 HB2 GLN 5 HB2 GLN 5 5.188 1.001 -4.323
27 HB3 GLN 5 HB3 GLN 5 4.487 1.578 -5.829
28 HG2 GLN 5 HG2 GLN 5 4.389 -1.043 -6.305
29 HG3 GLN 5 HG3 GLN 5 4.311 -1.076 -4.545
30 HE21 GLN 5 HE21 GLN 5 2.523 -0.919 -7.306
31 HE22 GLN 5 HE22 GLN 5 1.059 -0.264 -6.663
32 HA PRO 6 HA PRO 6 8.464 4.002 -7.288
33 HB2 PRO 6 HB2 PRO 6 6.696 5.637 -8.541
34 HB3 PRO 6 HB3 PRO 6 7.531 4.315 -9.364
35 HG2 PRO 6 HG2 PRO 6 4.754 4.397 -8.250
36 HG3 PRO 6 HG3 PRO 6 5.323 3.724 -9.789
37 HD2 PRO 6 HD2 PRO 6 4.808 2.180 -7.625
38 HD3 PRO 6 HD3 PRO 6 6.071 1.779 -8.806
39 H GLY 7 H GLY 7 8.600 4.491 -5.042
40 HA2 GLY 7 HA2 GLY 7 8.265 6.762 -3.951
41 HA3 GLY 7 HA3 GLY 7 6.554 6.379 -4.064
42 H CYS 8 H CYS 8 7.094 3.516 -3.467
43 HA CYS 8 HA CYS 8 7.224 3.817 -0.562
44 HB2 CYS 8 HB2 CYS 8 5.332 2.590 -1.801
45 HB3 CYS 8 HB3 CYS 8 6.502 1.296 -2.043
46 H GLY 9 H GLY 9 8.245 1.907 0.628
47 HA2 GLY 9 HA2 GLY 9 10.248 0.323 -0.510
48 HA3 GLY 9 HA3 GLY 9 10.996 1.828 0.005
49 H HIS 10 H HIS 10 12.078 -0.131 1.237
50 HA HIS 10 HA HIS 10 10.717 -1.172 3.497
51 HB2 HIS 10 HB2 HIS 10 12.811 -2.106 2.376
52 HB3 HIS 10 HB3 HIS 10 13.707 -0.867 3.250
53 HD1 HIS 10 HD1 HIS 10 13.794 -1.099 5.862
54 HD2 HIS 10 HD2 HIS 10 12.039 -4.299 3.877
55 HE1 HIS 10 HE1 HIS 10 13.691 -2.961 7.549
56 H CYS 11 H CYS 11 10.184 -0.179 5.318
57 HA CYS 11 HA CYS 11 10.860 2.499 5.872
58 HB2 CYS 11 HB2 CYS 11 9.664 2.213 7.940
59 HB3 CYS 11 HB3 CYS 11 8.807 1.323 6.686
60 H SER 12 H SER 12 11.831 3.185 8.018
61 HA SER 12 HA SER 12 13.903 1.459 9.068
62 HB2 SER 12 HB2 SER 12 14.988 2.432 7.078
63 HB3 SER 12 HB3 SER 12 14.631 4.051 7.679
64 HG SER 12 HG SER 12 16.524 2.202 8.545
65 H ARG 13 H ARG 13 14.707 2.136 11.062
66 HA ARG 13 HA ARG 13 13.085 3.337 12.847
67 HB2 ARG 13 HB2 ARG 13 16.097 3.350 12.740
68 HB3 ARG 13 HB3 ARG 13 15.206 3.991 14.114
69 HG2 ARG 13 HG2 ARG 13 14.652 1.221 13.152
70 HG3 ARG 13 HG3 ARG 13 16.071 1.545 14.150
71 HD2 ARG 13 HD2 ARG 13 14.054 2.879 15.468
72 HD3 ARG 13 HD3 ARG 13 13.254 1.421 14.882
73 HE ARG 13 HE ARG 13 15.181 1.593 16.977
74 HH11 ARG 13 HH11 ARG 13 13.980 -0.462 14.437
75 HH12 ARG 13 HH12 ARG 13 14.471 -1.930 15.214
76 HH21 ARG 13 HH21 ARG 13 15.832 -0.333 18.011
77 HH22 ARG 13 HH22 ARG 13 15.523 -1.856 17.248
78 HA PRO 14 HA PRO 14 13.095 4.626 14.713
79 HB2 PRO 14 HB2 PRO 14 10.980 6.224 15.300
80 HB3 PRO 14 HB3 PRO 14 12.647 6.650 15.704
81 HG2 PRO 14 HG2 PRO 14 10.967 7.555 13.398
82 HG3 PRO 14 HG3 PRO 14 12.052 8.503 14.431
83 HD2 PRO 14 HD2 PRO 14 12.768 7.647 11.963
84 HD3 PRO 14 HD3 PRO 14 13.936 7.825 13.288
85 H ASN 15 H ASN 15 12.017 4.449 11.726
86 HA ASN 15 HA ASN 15 9.298 3.571 12.196
87 HB2 ASN 15 HB2 ASN 15 10.759 3.103 9.622
88 HB3 ASN 15 HB3 ASN 15 9.058 3.478 9.886
89 HD21 ASN 15 HD21 ASN 15 10.935 4.732 8.081
90 HD22 ASN 15 HD22 ASN 15 11.000 6.402 8.522
91 H TYR 16 H TYR 16 8.545 1.476 12.081
92 HA TYR 16 HA TYR 16 10.476 -0.684 11.702
93 HB2 TYR 16 HB2 TYR 16 10.039 -1.743 13.768
94 HB3 TYR 16 HB3 TYR 16 10.306 -0.051 14.172
95 HD1 TYR 16 HD1 TYR 16 8.299 1.419 14.611
96 HD2 TYR 16 HD2 TYR 16 8.013 -2.815 14.316
97 HE1 TYR 16 HE1 TYR 16 6.128 1.492 15.765
98 HE2 TYR 16 HE2 TYR 16 5.841 -2.755 15.468
99 HH TYR 16 HH TYR 16 4.775 -0.691 17.276
100 H CYS 17 H CYS 17 9.028 -2.850 12.270
101 HA CYS 17 HA CYS 17 6.936 -2.755 10.252
102 HB2 CYS 17 HB2 CYS 17 8.609 -4.859 11.494
103 HB3 CYS 17 HB3 CYS 17 6.983 -5.345 11.025
104 H GLU 18 H GLU 18 4.810 -2.863 10.644
105 HA GLU 18 HA GLU 18 3.840 -3.813 13.221
106 HB2 GLU 18 HB2 GLU 18 4.286 -1.244 13.217
107 HB3 GLU 18 HB3 GLU 18 2.828 -1.166 12.239
108 HG2 GLU 18 HG2 GLU 18 2.721 -0.907 14.836
109 HG3 GLU 18 HG3 GLU 18 1.466 -1.782 13.961
110 H GLY 19 H GLY 19 2.322 -5.248 12.742
111 HA2 GLY 19 HA2 GLY 19 0.964 -5.198 10.195
112 HA3 GLY 19 HA3 GLY 19 0.772 -6.403 11.460
113 H ALA 20 H ALA 20 0.333 -3.945 13.308
114 HA ALA 20 HA ALA 20 -2.459 -3.430 12.523
115 HB1 ALA 20 HB1 ALA 20 -1.636 -4.971 14.698
116 HB2 ALA 20 HB2 ALA 20 -2.130 -3.423 15.385
117 HB3 ALA 20 HB3 ALA 20 -3.254 -4.343 14.385
118 H ARG 21 H ARG 21 -3.064 -1.810 14.757
119 HA ARG 21 HA ARG 21 -2.115 0.688 13.860
120 HB2 ARG 21 HB2 ARG 21 -3.267 0.258 16.601
121 HB3 ARG 21 HB3 ARG 21 -3.444 1.647 15.538
122 HG2 ARG 21 HG2 ARG 21 -4.593 -0.257 14.021
123 HG3 ARG 21 HG3 ARG 21 -4.959 -0.871 15.634
124 HD2 ARG 21 HD2 ARG 21 -5.757 1.505 16.152
125 HD3 ARG 21 HD3 ARG 21 -5.722 1.762 14.408
126 HE ARG 21 HE ARG 21 -7.187 -0.513 14.718
127 HH11 ARG 21 HH11 ARG 21 -7.386 2.717 16.001
128 HH12 ARG 21 HH12 ARG 21 -9.111 2.689 16.157
129 HH21 ARG 21 HH21 ARG 21 -9.458 -0.563 14.918
130 HH22 ARG 21 HH22 ARG 21 -10.289 0.822 15.541
131 H CYS 22 H CYS 22 -0.396 1.879 14.408
132 HA CYS 22 HA CYS 22 1.796 0.832 15.741
133 HB2 CYS 22 HB2 CYS 22 1.274 3.792 15.676
134 HB3 CYS 22 HB3 CYS 22 2.804 2.938 15.508
135 H GLU 23 H GLU 23 2.815 1.556 17.750
136 HA GLU 23 HA GLU 23 0.995 1.381 19.941
137 HB2 GLU 23 HB2 GLU 23 3.819 2.219 20.377
138 HB3 GLU 23 HB3 GLU 23 2.842 1.059 21.266
139 HG2 GLU 23 HG2 GLU 23 3.018 -0.432 19.222
140 HG3 GLU 23 HG3 GLU 23 4.269 0.674 18.656
141 H SER 24 H SER 24 0.890 2.910 21.728
142 HA SER 24 HA SER 24 0.147 5.471 20.931
143 HB2 SER 24 HB2 SER 24 1.011 4.566 23.689
144 HB3 SER 24 HB3 SER 24 0.088 6.024 23.328
145 HG SER 24 HG SER 24 -0.704 3.325 23.061
146 H GLY 25 H GLY 25 1.936 6.159 19.598
147 HA2 GLY 25 HA2 GLY 25 3.498 8.142 20.594
148 HA3 GLY 25 HA3 GLY 25 4.485 6.707 20.831
149 H PHE 26 H PHE 26 3.499 5.380 18.431
150 HA PHE 26 HA PHE 26 5.153 6.825 16.504
151 HB2 PHE 26 HB2 PHE 26 4.116 3.987 16.555
152 HB3 PHE 26 HB3 PHE 26 5.028 4.667 15.212
153 HD1 PHE 26 HD1 PHE 26 7.182 3.906 15.153
154 HD2 PHE 26 HD2 PHE 26 5.391 4.712 18.929
155 HE1 PHE 26 HE1 PHE 26 9.287 3.303 16.276
156 HE2 PHE 26 HE2 PHE 26 7.492 4.111 20.058
157 HZ PHE 26 HZ PHE 26 9.444 3.406 18.732
158 H HIS 27 H HIS 27 4.363 6.303 14.113
159 HA HIS 27 HA HIS 27 1.475 6.769 13.911
160 HB2 HIS 27 HB2 HIS 27 2.137 8.459 12.028
161 HB3 HIS 27 HB3 HIS 27 2.146 8.981 13.711
162 HD1 HIS 27 HD1 HIS 27 4.359 9.711 14.697
163 HD2 HIS 27 HD2 HIS 27 4.734 8.063 10.901
164 HE1 HIS 27 HE1 HIS 27 6.728 10.176 13.992
165 H ASP 28 H ASP 28 0.535 5.619 12.343
166 HA ASP 28 HA ASP 28 1.951 3.673 10.895
167 HB2 ASP 28 HB2 ASP 28 -0.297 3.160 11.275
168 HB3 ASP 28 HB3 ASP 28 -0.849 4.747 10.746
169 H CYS 29 H CYS 29 3.307 4.010 9.272
170 HA CYS 29 HA CYS 29 2.682 6.146 7.339
171 HB2 CYS 29 HB2 CYS 29 5.184 6.155 6.904
172 HB3 CYS 29 HB3 CYS 29 4.672 6.793 8.463
173 H GLY 30 H GLY 30 1.858 3.302 7.339
174 HA2 GLY 30 HA2 GLY 30 3.327 1.700 5.619
175 HA3 GLY 30 HA3 GLY 30 1.577 1.651 5.768
176 H SER 31 H SER 31 1.820 4.656 4.906
177 HA SER 31 HA SER 31 0.835 4.504 2.389
178 HB2 SER 31 HB2 SER 31 1.797 6.797 2.001
179 HB3 SER 31 HB3 SER 31 0.923 6.625 3.523
180 HG SER 31 HG SER 31 2.896 7.688 3.853
181 H ASP 32 H ASP 32 4.219 5.516 2.797
182 HA ASP 32 HA ASP 32 4.861 4.036 0.335
183 HB2 ASP 32 HB2 ASP 32 6.906 5.639 0.367
184 HB3 ASP 32 HB3 ASP 32 5.339 6.269 -0.132
185 H HIS 33 H HIS 33 4.774 2.836 2.961
186 HA HIS 33 HA HIS 33 7.481 1.770 3.008
187 HB2 HIS 33 HB2 HIS 33 6.167 2.801 5.530
188 HB3 HIS 33 HB3 HIS 33 7.751 2.040 5.407
189 HD1 HIS 33 HD1 HIS 33 6.521 5.194 6.007
190 HD2 HIS 33 HD2 HIS 33 9.247 3.761 3.218
191 HE1 HIS 33 HE1 HIS 33 7.885 7.189 5.314
192 H TRP 34 H TRP 34 7.242 -0.351 2.852
193 HA TRP 34 HA TRP 34 4.955 -1.613 4.218
194 HB2 TRP 34 HB2 TRP 34 5.500 -3.462 2.390
195 HB3 TRP 34 HB3 TRP 34 4.456 -2.090 2.030
196 HD1 TRP 34 HD1 TRP 34 5.008 -1.001 -0.206
197 HE1 TRP 34 HE1 TRP 34 7.115 -0.705 -1.655
198 HE3 TRP 34 HE3 TRP 34 8.414 -3.305 2.832
199 HZ2 TRP 34 HZ2 TRP 34 9.857 -1.362 -1.527
200 HZ3 TRP 34 HZ3 TRP 34 10.758 -3.429 2.095
201 HH2 TRP 34 HH2 TRP 34 11.463 -2.478 -0.040
202 H CYS 35 H CYS 35 5.400 -4.048 4.576
203 HA CYS 35 HA CYS 35 8.049 -4.265 5.833
204 HB2 CYS 35 HB2 CYS 35 5.355 -5.386 6.493
205 HB3 CYS 35 HB3 CYS 35 6.793 -6.264 7.004
206 H ASP 36 H ASP 36 8.818 -6.619 6.010
207 HA ASP 36 HA ASP 36 9.535 -7.583 3.544
208 HB2 ASP 36 HB2 ASP 36 9.402 -8.795 6.266
209 HB3 ASP 36 HB3 ASP 36 9.696 -9.866 4.899
210 H ALA 37 H ALA 37 6.700 -8.438 5.463
211 HA ALA 37 HA ALA 37 5.798 -10.293 3.395
212 HB1 ALA 37 HB1 ALA 37 4.088 -9.750 5.742
213 HB2 ALA 37 HB2 ALA 37 4.502 -11.279 4.966
214 HB3 ALA 37 HB3 ALA 37 5.649 -10.507 6.061
215 H SER 38 H SER 38 4.455 -9.688 1.837
216 HA SER 38 HA SER 38 3.505 -7.080 1.522
217 HB2 SER 38 HB2 SER 38 2.013 -8.109 -0.253
218 HB3 SER 38 HB3 SER 38 3.735 -8.449 -0.421
219 HG SER 38 HG SER 38 2.015 -10.210 0.960
220 H GLY 39 H GLY 39 2.547 -6.668 3.628
221 HA2 GLY 39 HA2 GLY 39 -0.209 -6.562 3.623
222 HA3 GLY 39 HA3 GLY 39 0.196 -8.048 4.471
223 H ASP 40 H ASP 40 2.741 -6.689 5.417
224 HA ASP 40 HA ASP 40 1.534 -5.494 7.783
225 HB2 ASP 40 HB2 ASP 40 4.155 -6.722 7.121
226 HB3 ASP 40 HB3 ASP 40 4.161 -5.457 8.347
227 H ARG 41 H ARG 41 1.613 -3.387 8.291
228 HA ARG 41 HA ARG 41 2.850 -1.579 6.353
229 HB2 ARG 41 HB2 ARG 41 1.488 0.032 8.093
230 HB3 ARG 41 HB3 ARG 41 0.830 -0.621 6.600
231 HG2 ARG 41 HG2 ARG 41 -0.178 -2.457 7.796
232 HG3 ARG 41 HG3 ARG 41 0.570 -1.922 9.302
233 HD2 ARG 41 HD2 ARG 41 -1.507 -1.004 9.549
234 HD3 ARG 41 HD3 ARG 41 -0.686 0.322 8.727
235 HE ARG 41 HE ARG 41 -2.773 -1.373 7.656
236 HH11 ARG 41 HH11 ARG 41 -0.239 0.917 6.980
237 HH12 ARG 41 HH12 ARG 41 -0.894 1.386 5.446
238 HH21 ARG 41 HH21 ARG 41 -3.645 -0.763 5.638
239 HH22 ARG 41 HH22 ARG 41 -2.831 0.430 4.684
240 H CYS 42 H CYS 42 4.541 -0.300 6.820
241 HA CYS 42 HA CYS 42 5.937 -0.725 9.305
242 HB2 CYS 42 HB2 CYS 42 6.529 0.585 6.703
243 HB3 CYS 42 HB3 CYS 42 7.421 1.160 8.108
244 H CYS 43 H CYS 43 5.852 0.508 11.063
245 HA CYS 43 HA CYS 43 4.377 3.036 10.921
246 HB2 CYS 43 HB2 CYS 43 4.976 1.093 13.126
247 HB3 CYS 43 HB3 CYS 43 4.548 2.756 13.514
248 H CYS 44 H CYS 44 5.275 4.968 11.402
249 HA CYS 44 HA CYS 44 8.153 4.974 12.022
250 HB2 CYS 44 HB2 CYS 44 6.533 7.159 10.700
251 HB3 CYS 44 HB3 CYS 44 8.281 7.123 10.904
252 H ALA 45 H ALA 45 8.868 5.952 13.818
253 HA ALA 45 HA ALA 45 6.950 6.909 15.738
254 HB1 ALA 45 HB1 ALA 45 9.825 7.266 16.288
255 HB2 ALA 45 HB2 ALA 45 8.553 6.566 17.290
256 HB3 ALA 45 HB3 ALA 45 9.288 5.610 16.004
Start of MODEL 10
1 H CYS 1 H CYS 1 0.566 1.269 -0.619
2 HA CYS 1 HA CYS 1 1.377 1.105 -3.287
3 HB2 CYS 1 HB2 CYS 1 3.604 1.601 -2.492
4 HB3 CYS 1 HB3 CYS 1 2.446 2.529 -1.545
5 H TYR 2 H TYR 2 3.506 -0.143 -3.862
6 HA TYR 2 HA TYR 2 3.181 -2.950 -3.026
7 HB2 TYR 2 HB2 TYR 2 2.808 -1.843 -5.611
8 HB3 TYR 2 HB3 TYR 2 4.286 -2.796 -5.663
9 HD1 TYR 2 HD1 TYR 2 3.617 -4.652 -6.941
10 HD2 TYR 2 HD2 TYR 2 1.265 -3.449 -3.605
11 HE1 TYR 2 HE1 TYR 2 2.286 -6.709 -7.145
12 HE2 TYR 2 HE2 TYR 2 -0.072 -5.504 -3.800
13 HH TYR 2 HH TYR 2 -0.241 -7.503 -4.798
14 HA PRO 3 HA PRO 3 7.481 -3.095 -2.170
15 HB2 PRO 3 HB2 PRO 3 8.124 -5.616 -2.945
16 HB3 PRO 3 HB3 PRO 3 7.167 -5.270 -1.500
17 HG2 PRO 3 HG2 PRO 3 6.250 -6.114 -4.222
18 HG3 PRO 3 HG3 PRO 3 5.699 -6.674 -2.632
19 HD2 PRO 3 HD2 PRO 3 4.322 -4.859 -4.096
20 HD3 PRO 3 HD3 PRO 3 4.335 -4.842 -2.320
21 H GLY 4 H GLY 4 7.872 -1.479 -3.925
22 HA2 GLY 4 HA2 GLY 4 10.030 -1.596 -5.341
23 HA3 GLY 4 HA3 GLY 4 9.061 -2.672 -6.337
24 H GLN 5 H GLN 5 7.006 -0.428 -5.060
25 HA GLN 5 HA GLN 5 6.699 0.906 -7.574
26 HB2 GLN 5 HB2 GLN 5 5.379 1.423 -4.904
27 HB3 GLN 5 HB3 GLN 5 4.892 2.147 -6.430
28 HG2 GLN 5 HG2 GLN 5 4.605 -0.272 -7.245
29 HG3 GLN 5 HG3 GLN 5 4.646 -0.696 -5.535
30 HE21 GLN 5 HE21 GLN 5 2.565 -0.459 -7.854
31 HE22 GLN 5 HE22 GLN 5 1.206 0.251 -7.058
32 HA PRO 6 HA PRO 6 9.182 4.476 -6.990
33 HB2 PRO 6 HB2 PRO 6 7.701 6.374 -8.245
34 HB3 PRO 6 HB3 PRO 6 8.573 5.106 -9.114
35 HG2 PRO 6 HG2 PRO 6 5.674 5.250 -8.382
36 HG3 PRO 6 HG3 PRO 6 6.419 4.732 -9.905
37 HD2 PRO 6 HD2 PRO 6 5.519 2.975 -8.051
38 HD3 PRO 6 HD3 PRO 6 6.914 2.632 -9.094
39 H GLY 7 H GLY 7 8.809 4.462 -4.635
40 HA2 GLY 7 HA2 GLY 7 8.468 6.731 -3.372
41 HA3 GLY 7 HA3 GLY 7 6.782 6.359 -3.696
42 H CYS 8 H CYS 8 7.249 3.458 -3.382
43 HA CYS 8 HA CYS 8 7.143 3.417 -0.460
44 HB2 CYS 8 HB2 CYS 8 5.416 2.339 -2.156
45 HB3 CYS 8 HB3 CYS 8 6.563 1.003 -2.120
46 H GLY 9 H GLY 9 8.197 1.670 0.719
47 HA2 GLY 9 HA2 GLY 9 10.132 -0.034 -0.375
48 HA3 GLY 9 HA3 GLY 9 10.934 1.459 0.091
49 H HIS 10 H HIS 10 11.993 -0.405 1.412
50 HA HIS 10 HA HIS 10 10.604 -1.389 3.685
51 HB2 HIS 10 HB2 HIS 10 12.792 -2.249 2.552
52 HB3 HIS 10 HB3 HIS 10 13.589 -1.087 3.608
53 HD1 HIS 10 HD1 HIS 10 14.735 -2.909 5.003
54 HD2 HIS 10 HD2 HIS 10 10.590 -3.184 4.973
55 HE1 HIS 10 HE1 HIS 10 14.158 -4.559 6.811
56 H CYS 11 H CYS 11 10.057 -0.350 5.476
57 HA CYS 11 HA CYS 11 10.704 2.348 5.954
58 HB2 CYS 11 HB2 CYS 11 9.531 2.091 8.054
59 HB3 CYS 11 HB3 CYS 11 8.660 1.210 6.802
60 H SER 12 H SER 12 11.688 3.132 8.040
61 HA SER 12 HA SER 12 13.778 1.455 9.149
62 HB2 SER 12 HB2 SER 12 14.364 3.899 7.480
63 HB3 SER 12 HB3 SER 12 15.508 3.278 8.669
64 HG SER 12 HG SER 12 15.629 2.516 6.362
65 H ARG 13 H ARG 13 14.577 2.198 11.124
66 HA ARG 13 HA ARG 13 12.938 3.405 12.887
67 HB2 ARG 13 HB2 ARG 13 15.952 3.576 12.791
68 HB3 ARG 13 HB3 ARG 13 14.994 4.078 14.177
69 HG2 ARG 13 HG2 ARG 13 14.145 1.479 13.513
70 HG3 ARG 13 HG3 ARG 13 15.909 1.471 13.467
71 HD2 ARG 13 HD2 ARG 13 15.504 2.867 15.732
72 HD3 ARG 13 HD3 ARG 13 14.066 1.847 15.741
73 HE ARG 13 HE ARG 13 15.395 0.082 16.295
74 HH11 ARG 13 HH11 ARG 13 17.379 2.555 14.857
75 HH12 ARG 13 HH12 ARG 13 18.866 1.718 15.154
76 HH21 ARG 13 HH21 ARG 13 17.347 -1.031 16.691
77 HH22 ARG 13 HH22 ARG 13 18.847 -0.322 16.196
78 HA PRO 14 HA PRO 14 12.924 4.738 14.720
79 HB2 PRO 14 HB2 PRO 14 10.775 6.301 15.277
80 HB3 PRO 14 HB3 PRO 14 12.433 6.775 15.664
81 HG2 PRO 14 HG2 PRO 14 10.724 7.585 13.343
82 HG3 PRO 14 HG3 PRO 14 11.791 8.582 14.349
83 HD2 PRO 14 HD2 PRO 14 12.518 7.684 11.900
84 HD3 PRO 14 HD3 PRO 14 13.686 7.921 13.216
85 H ASN 15 H ASN 15 11.839 4.467 11.742
86 HA ASN 15 HA ASN 15 9.144 3.535 12.247
87 HB2 ASN 15 HB2 ASN 15 10.592 3.040 9.673
88 HB3 ASN 15 HB3 ASN 15 8.889 3.400 9.943
89 HD21 ASN 15 HD21 ASN 15 10.733 4.637 8.095
90 HD22 ASN 15 HD22 ASN 15 10.781 6.316 8.498
91 H TYR 16 H TYR 16 8.442 1.419 12.177
92 HA TYR 16 HA TYR 16 10.422 -0.700 11.831
93 HB2 TYR 16 HB2 TYR 16 10.036 -1.722 13.921
94 HB3 TYR 16 HB3 TYR 16 10.246 -0.014 14.290
95 HD1 TYR 16 HD1 TYR 16 8.196 1.394 14.720
96 HD2 TYR 16 HD2 TYR 16 8.045 -2.852 14.491
97 HE1 TYR 16 HE1 TYR 16 6.029 1.414 15.882
98 HE2 TYR 16 HE2 TYR 16 5.877 -2.843 15.652
99 HH TYR 16 HH TYR 16 4.682 -0.187 17.292
100 H CYS 17 H CYS 17 9.034 -2.889 12.452
101 HA CYS 17 HA CYS 17 6.924 -2.886 10.449
102 HB2 CYS 17 HB2 CYS 17 8.655 -4.926 11.723
103 HB3 CYS 17 HB3 CYS 17 7.041 -5.458 11.263
104 H GLU 18 H GLU 18 4.806 -3.026 10.865
105 HA GLU 18 HA GLU 18 3.880 -3.957 13.466
106 HB2 GLU 18 HB2 GLU 18 4.264 -1.380 13.414
107 HB3 GLU 18 HB3 GLU 18 2.799 -1.352 12.444
108 HG2 GLU 18 HG2 GLU 18 2.698 -1.049 15.035
109 HG3 GLU 18 HG3 GLU 18 1.461 -1.973 14.185
110 H GLY 19 H GLY 19 2.393 -5.437 13.025
111 HA2 GLY 19 HA2 GLY 19 1.005 -5.450 10.491
112 HA3 GLY 19 HA3 GLY 19 0.871 -6.654 11.763
113 H ALA 20 H ALA 20 0.404 -4.106 13.543
114 HA ALA 20 HA ALA 20 -2.423 -3.722 12.822
115 HB1 ALA 20 HB1 ALA 20 -3.210 -4.338 14.857
116 HB2 ALA 20 HB2 ALA 20 -1.766 -5.350 14.830
117 HB3 ALA 20 HB3 ALA 20 -1.753 -3.818 15.703
118 H ARG 21 H ARG 21 -3.040 -2.091 15.046
119 HA ARG 21 HA ARG 21 -2.184 0.421 14.100
120 HB2 ARG 21 HB2 ARG 21 -3.612 -0.453 16.602
121 HB3 ARG 21 HB3 ARG 21 -3.207 1.233 16.311
122 HG2 ARG 21 HG2 ARG 21 -4.457 0.262 13.974
123 HG3 ARG 21 HG3 ARG 21 -5.424 -0.267 15.352
124 HD2 ARG 21 HD2 ARG 21 -5.881 1.890 16.029
125 HD3 ARG 21 HD3 ARG 21 -4.452 2.552 15.236
126 HE ARG 21 HE ARG 21 -6.238 1.529 13.306
127 HH11 ARG 21 HH11 ARG 21 -5.859 4.183 15.528
128 HH12 ARG 21 HH12 ARG 21 -6.805 5.282 14.580
129 HH21 ARG 21 HH21 ARG 21 -7.486 2.967 12.049
130 HH22 ARG 21 HH22 ARG 21 -7.731 4.589 12.602
131 H CYS 22 H CYS 22 -0.480 1.656 14.587
132 HA CYS 22 HA CYS 22 1.754 0.691 15.916
133 HB2 CYS 22 HB2 CYS 22 1.182 3.637 15.780
134 HB3 CYS 22 HB3 CYS 22 2.719 2.798 15.590
135 H GLU 23 H GLU 23 2.784 1.496 17.887
136 HA GLU 23 HA GLU 23 1.005 1.344 20.109
137 HB2 GLU 23 HB2 GLU 23 3.801 2.287 20.488
138 HB3 GLU 23 HB3 GLU 23 2.878 1.107 21.410
139 HG2 GLU 23 HG2 GLU 23 3.103 -0.193 19.063
140 HG3 GLU 23 HG3 GLU 23 4.594 0.747 19.050
141 H SER 24 H SER 24 0.846 2.924 21.836
142 HA SER 24 HA SER 24 0.021 5.432 20.975
143 HB2 SER 24 HB2 SER 24 0.727 4.302 23.661
144 HB3 SER 24 HB3 SER 24 0.372 6.022 23.506
145 HG SER 24 HG SER 24 -1.619 5.356 23.690
146 H GLY 25 H GLY 25 1.723 6.196 19.606
147 HA2 GLY 25 HA2 GLY 25 3.241 8.243 20.492
148 HA3 GLY 25 HA3 GLY 25 4.282 6.858 20.787
149 H PHE 26 H PHE 26 3.337 5.385 18.458
150 HA PHE 26 HA PHE 26 4.931 6.797 16.457
151 HB2 PHE 26 HB2 PHE 26 3.971 3.935 16.619
152 HB3 PHE 26 HB3 PHE 26 4.884 4.589 15.263
153 HD1 PHE 26 HD1 PHE 26 5.184 4.744 18.983
154 HD2 PHE 26 HD2 PHE 26 7.068 3.916 15.257
155 HE1 PHE 26 HE1 PHE 26 7.284 4.239 20.161
156 HE2 PHE 26 HE2 PHE 26 9.171 3.410 16.429
157 HZ PHE 26 HZ PHE 26 9.281 3.570 18.884
158 H HIS 27 H HIS 27 4.153 6.179 14.097
159 HA HIS 27 HA HIS 27 1.249 6.534 13.890
160 HB2 HIS 27 HB2 HIS 27 1.871 8.166 11.931
161 HB3 HIS 27 HB3 HIS 27 1.825 8.755 13.590
162 HD1 HIS 27 HD1 HIS 27 4.005 9.565 14.611
163 HD2 HIS 27 HD2 HIS 27 4.485 7.879 10.844
164 HE1 HIS 27 HE1 HIS 27 6.363 10.111 13.925
165 H ASP 28 H ASP 28 0.337 5.313 12.356
166 HA ASP 28 HA ASP 28 1.819 3.358 10.978
167 HB2 ASP 28 HB2 ASP 28 -0.396 2.758 11.383
168 HB3 ASP 28 HB3 ASP 28 -1.021 4.312 10.838
169 H CYS 29 H CYS 29 3.205 3.768 9.390
170 HA CYS 29 HA CYS 29 2.471 5.789 7.374
171 HB2 CYS 29 HB2 CYS 29 4.971 5.846 6.911
172 HB3 CYS 29 HB3 CYS 29 4.452 6.527 8.450
173 H GLY 30 H GLY 30 1.752 2.905 7.481
174 HA2 GLY 30 HA2 GLY 30 3.245 1.311 5.777
175 HA3 GLY 30 HA3 GLY 30 1.500 1.204 5.960
176 H SER 31 H SER 31 1.619 4.190 5.008
177 HA SER 31 HA SER 31 0.605 3.917 2.508
178 HB2 SER 31 HB2 SER 31 2.445 6.167 3.356
179 HB3 SER 31 HB3 SER 31 1.236 6.232 2.074
180 HG SER 31 HG SER 31 0.622 7.109 4.203
181 H ASP 32 H ASP 32 3.934 5.116 2.844
182 HA ASP 32 HA ASP 32 4.620 3.629 0.399
183 HB2 ASP 32 HB2 ASP 32 6.663 5.338 0.595
184 HB3 ASP 32 HB3 ASP 32 5.143 5.780 -0.178
185 H HIS 33 H HIS 33 4.585 2.468 3.064
186 HA HIS 33 HA HIS 33 7.321 1.469 3.086
187 HB2 HIS 33 HB2 HIS 33 5.991 2.504 5.598
188 HB3 HIS 33 HB3 HIS 33 7.579 1.749 5.496
189 HD1 HIS 33 HD1 HIS 33 6.362 4.896 6.079
190 HD2 HIS 33 HD2 HIS 33 9.048 3.454 3.255
191 HE1 HIS 33 HE1 HIS 33 7.713 6.890 5.355
192 H TRP 34 H TRP 34 7.138 -0.658 2.936
193 HA TRP 34 HA TRP 34 4.903 -1.978 4.334
194 HB2 TRP 34 HB2 TRP 34 5.480 -3.819 2.507
195 HB3 TRP 34 HB3 TRP 34 4.391 -2.479 2.155
196 HD1 TRP 34 HD1 TRP 34 4.910 -1.271 -0.032
197 HE1 TRP 34 HE1 TRP 34 6.979 -0.963 -1.531
198 HE3 TRP 34 HE3 TRP 34 8.358 -3.731 2.830
199 HZ2 TRP 34 HZ2 TRP 34 9.712 -1.670 -1.504
200 HZ3 TRP 34 HZ3 TRP 34 10.678 -3.870 2.021
201 HH2 TRP 34 HH2 TRP 34 11.339 -2.861 -0.101
202 H CYS 35 H CYS 35 5.370 -4.309 4.868
203 HA CYS 35 HA CYS 35 8.062 -4.478 6.021
204 HB2 CYS 35 HB2 CYS 35 5.405 -5.649 6.753
205 HB3 CYS 35 HB3 CYS 35 6.877 -6.466 7.270
206 H ASP 36 H ASP 36 8.823 -6.855 6.269
207 HA ASP 36 HA ASP 36 9.533 -7.851 3.801
208 HB2 ASP 36 HB2 ASP 36 9.466 -9.003 6.552
209 HB3 ASP 36 HB3 ASP 36 9.762 -10.096 5.203
210 H ALA 37 H ALA 37 6.748 -8.702 5.794
211 HA ALA 37 HA ALA 37 5.837 -10.625 3.793
212 HB1 ALA 37 HB1 ALA 37 4.188 -10.023 6.178
213 HB2 ALA 37 HB2 ALA 37 4.548 -11.568 5.406
214 HB3 ALA 37 HB3 ALA 37 5.747 -10.802 6.448
215 H SER 38 H SER 38 4.475 -10.070 2.234
216 HA SER 38 HA SER 38 3.475 -7.489 1.871
217 HB2 SER 38 HB2 SER 38 2.565 -10.115 0.673
218 HB3 SER 38 HB3 SER 38 2.020 -8.533 0.114
219 HG SER 38 HG SER 38 3.879 -8.228 -0.841
220 H GLY 39 H GLY 39 2.540 -7.036 3.977
221 HA2 GLY 39 HA2 GLY 39 -0.216 -6.973 4.013
222 HA3 GLY 39 HA3 GLY 39 0.222 -8.431 4.889
223 H ASP 40 H ASP 40 2.760 -7.017 5.767
224 HA ASP 40 HA ASP 40 1.576 -5.794 8.127
225 HB2 ASP 40 HB2 ASP 40 4.217 -6.960 7.431
226 HB3 ASP 40 HB3 ASP 40 4.209 -5.676 8.636
227 H ARG 41 H ARG 41 1.566 -3.674 8.558
228 HA ARG 41 HA ARG 41 2.730 -1.876 6.569
229 HB2 ARG 41 HB2 ARG 41 1.347 -0.277 8.317
230 HB3 ARG 41 HB3 ARG 41 0.697 -0.955 6.830
231 HG2 ARG 41 HG2 ARG 41 -0.272 -2.797 8.029
232 HG3 ARG 41 HG3 ARG 41 0.496 -2.271 9.529
233 HD2 ARG 41 HD2 ARG 41 -1.640 -1.438 9.777
234 HD3 ARG 41 HD3 ARG 41 -0.792 -0.053 9.091
235 HE ARG 41 HE ARG 41 -2.843 -1.651 7.819
236 HH11 ARG 41 HH11 ARG 41 -0.291 0.683 7.416
237 HH12 ARG 41 HH12 ARG 41 -0.896 1.277 5.905
238 HH21 ARG 41 HH21 ARG 41 -3.649 -0.877 5.831
239 HH22 ARG 41 HH22 ARG 41 -2.806 0.390 5.005
240 H CYS 42 H CYS 42 4.398 -0.550 6.975
241 HA CYS 42 HA CYS 42 5.850 -0.876 9.440
242 HB2 CYS 42 HB2 CYS 42 6.344 0.432 6.812
243 HB3 CYS 42 HB3 CYS 42 7.261 1.020 8.195
244 H CYS 43 H CYS 43 5.775 0.392 11.175
245 HA CYS 43 HA CYS 43 4.225 2.877 11.014
246 HB2 CYS 43 HB2 CYS 43 4.880 0.979 13.244
247 HB3 CYS 43 HB3 CYS 43 4.408 2.636 13.607
248 H CYS 44 H CYS 44 5.102 4.828 11.404
249 HA CYS 44 HA CYS 44 7.974 4.902 12.042
250 HB2 CYS 44 HB2 CYS 44 6.317 7.025 10.666
251 HB3 CYS 44 HB3 CYS 44 8.065 7.026 10.873
252 H ALA 45 H ALA 45 8.674 5.945 13.809
253 HA ALA 45 HA ALA 45 6.737 6.906 15.709
254 HB1 ALA 45 HB1 ALA 45 9.605 7.338 16.242
255 HB2 ALA 45 HB2 ALA 45 8.350 6.640 17.266
256 HB3 ALA 45 HB3 ALA 45 9.102 5.664 16.004